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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H19NO2
Molecular Weight 245.3169
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(1-Hydroxycyclohexyl)-2-(4-methoxyphenyl)acetonitrile, (2S)-

SMILES

COC1=CC=C(C=C1)[C@@H](C#N)C2(O)CCCCC2

InChI

InChIKey=ASYJSBPNAIDUHX-CQSZACIVSA-N
InChI=1S/C15H19NO2/c1-18-13-7-5-12(6-8-13)14(11-16)15(17)9-3-2-4-10-15/h5-8,14,17H,2-4,9-10H2,1H3/t14-/m1/s1

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
2-(1-Hydroxycyclohexyl)-2-(4-methoxyphenyl)acetonitrile, (2S)-
Systematic Name English
(αS)-α-(1-Hydroxycyclohexyl)-4-methoxybenzeneacetonitrile
Systematic Name English
Benzeneacetonitrile, α-(1-hydroxycyclohexyl)-4-methoxy-, (αS)-
Systematic Name English
Code System Code Type Description
PUBCHEM
29921588
Created by admin on Sat Dec 16 19:51:30 GMT 2023 , Edited by admin on Sat Dec 16 19:51:30 GMT 2023
PRIMARY
CAS
2753434-78-3
Created by admin on Sat Dec 16 19:51:30 GMT 2023 , Edited by admin on Sat Dec 16 19:51:30 GMT 2023
PRIMARY
FDA UNII
X5ZW57MF7H
Created by admin on Sat Dec 16 19:51:30 GMT 2023 , Edited by admin on Sat Dec 16 19:51:30 GMT 2023
PRIMARY
NIH
NCATS
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