(Q82929754)

English

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

chemical compound

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Statements

type of chemical entity

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chemical compound

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457.180856816 dalton

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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

[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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based on heuristic

inferred from SMILES

canonical SMILES

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

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC(C)(O)c1ccccc1CC[C@H](O)c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1

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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/t28-/m0/s1

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ZSHIDKYITZZTLA-NDEPHWFRSA-N

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CAS Registry Number

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1 reference

matched by identifier from

ZSHIDKYITZZTLA-NDEPHWFRSA-N

DSSTox substance ID

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DSSTOX compound identifier

DTXCID301379552

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