(Q72459363)

English

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

chemical compound

In more languages

Statements

type of chemical entity

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chemical compound

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457.180856816 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

1 reference

based on heuristic

inferred from InChI

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

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)(O)c1ccccc1CC[C@@H](O)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1

1 reference

based on heuristic

inferred from InChI

Identifiers

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-/m1/s1

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ZSHIDKYITZZTLA-MGUPHCMFSA-N

1 reference

based on heuristic

inferred from InChI

CAS Registry Number

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1 reference

matched by identifier from

ZSHIDKYITZZTLA-MGUPHCMFSA-N

DSSTox substance ID

DTXSID901114370

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matched by identifier from

ZSHIDKYITZZTLA-MGUPHCMFSA-N

1 reference

matched by identifier from

ZSHIDKYITZZTLA-MGUPHCMFSA-N

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