(Q76421761)

English

(1S)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propan-1-ol

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

457.18085681599996 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

stereoisomer of

1-{3-[2-(7-Chloroquinolin-2-yl)ethenyl]phenyl}-3-[2-(2-hydroxypropan-2-yl)phenyl]propan-1-ol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[R-(E)]-alpha-[3-[2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-2-(1-hydroxy-1-methylethyl)benzenepropanol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₂₈ClNO₂

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canonical SMILES

CC(C)(O)c1ccccc1CCC(O)c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC(C)(C1=CC=CC=C1CC[C@@H](C2=CC=CC(=C2)/C=C/C3=NC4=C(C=CC(=C4)Cl)C=C3)O)O

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Identifiers

InChI

InChI=1S/C29H28ClNO2/c1-29(2,33)26-9-4-3-7-21(26)13-17-28(32)23-8-5-6-20(18-23)10-15-25-16-12-22-11-14-24(30)19-27(22)31-25/h3-12,14-16,18-19,28,32-33H,13,17H2,1-2H3/b15-10+/t28-/m0/s1

0 references

InChIKey

ZSHIDKYITZZTLA-FCPABOFRSA-N

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CAS Registry Number

287930-77-2

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

retrieved

25 January 2022

PubChem CID

11612270

1 reference

matched by identifier from

InChIKey

ZSHIDKYITZZTLA-FCPABOFRSA-N

SureChEMBL ID

SCHEMBL201920

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

ZSHIDKYITZZTLA-FCPABOFRSA-N

1 reference

1 reference

matched by identifier from

InChIKey

ZSHIDKYITZZTLA-FCPABOFRSA-N

(Q76421761)

(1S)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propan-1-ol

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