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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H22ClNO2
Molecular Weight 295.804
Optical Activity ( - )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of α-(3-Chloropropyl)-3,4-dimethoxy-α-(1-methylethyl)benzeneacetonitrile, (αS)-

SMILES

COC1=C(OC)C=C(C=C1)[C@@](CCCCl)(C#N)C(C)C

InChI

InChIKey=VDQLTWSIHIWIFQ-INIZCTEOSA-N
InChI=1S/C16H22ClNO2/c1-12(2)16(11-18,8-5-9-17)13-6-7-14(19-3)15(10-13)20-4/h6-7,10,12H,5,8-9H2,1-4H3/t16-/m0/s1

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
α-(3-Chloropropyl)-3,4-dimethoxy-α-(1-methylethyl)benzeneacetonitrile, (αS)-
Systematic Name English
(αS)-α-(3-Chloropropyl)-3,4-dimethoxy-α-(1-methylethyl)benzeneacetonitrile
Systematic Name English
Benzeneacetonitrile, α-(3-chloropropyl)-3,4-dimethoxy-α-(1-methylethyl)-, (αS)-
Systematic Name English
l-γ-Cyano-γ-(3,4-dimethoxyphenyl)-γ-isopropylbutyl chloride
Systematic Name English
Code System Code Type Description
CAS
36622-26-1
Created by admin on Sat Dec 16 20:08:28 GMT 2023 , Edited by admin on Sat Dec 16 20:08:28 GMT 2023
PRIMARY
PUBCHEM
1933848
Created by admin on Sat Dec 16 20:08:28 GMT 2023 , Edited by admin on Sat Dec 16 20:08:28 GMT 2023
PRIMARY
FDA UNII
EXP6QP2S7M
Created by admin on Sat Dec 16 20:08:28 GMT 2023 , Edited by admin on Sat Dec 16 20:08:28 GMT 2023
PRIMARY
NIH
NCATS
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