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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H32ClNO2
Molecular Weight 462.023
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of erythro-3-(p-Chlorophenyl)-2-(p-(2-(1-pyrrolidinyl)ethoxy)phenyl)valerophenone

SMILES

CC[C@@H]([C@@H](C(=O)C1=CC=CC=C1)C2=CC=C(OCCN3CCCC3)C=C2)C4=CC=C(Cl)C=C4

InChI

InChIKey=MYOLTGUMBFWBFE-IZLXSDGUSA-N
InChI=1S/C29H32ClNO2/c1-2-27(22-10-14-25(30)15-11-22)28(29(32)24-8-4-3-5-9-24)23-12-16-26(17-13-23)33-21-20-31-18-6-7-19-31/h3-5,8-17,27-28H,2,6-7,18-21H2,1H3/t27-,28+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
erythro-3-(p-Chlorophenyl)-2-(p-(2-(1-pyrrolidinyl)ethoxy)phenyl)valerophenone
Systematic Name English
1-Pentanone, 3-(4-chlorophenyl)-1-phenyl-2-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-, (R*,S*)-
Preferred Name English
Valerophenone, 3-(p-chlorophenyl)-2-[p-[2-(1-pyrrolidinyl)ethoxy]phenyl]-, erythro-
Systematic Name English
Code System Code Type Description
CAS
31301-22-1
Created by admin on Mon Mar 31 22:53:18 GMT 2025 , Edited by admin on Mon Mar 31 22:53:18 GMT 2025
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PUBCHEM
207969
Created by admin on Mon Mar 31 22:53:18 GMT 2025 , Edited by admin on Mon Mar 31 22:53:18 GMT 2025
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FDA UNII
S9FU6A64FF
Created by admin on Mon Mar 31 22:53:18 GMT 2025 , Edited by admin on Mon Mar 31 22:53:18 GMT 2025
PRIMARY
EPA CompTox
DTXSID40953344
Created by admin on Mon Mar 31 22:53:18 GMT 2025 , Edited by admin on Mon Mar 31 22:53:18 GMT 2025
PRIMARY