2-Phenyl-3-(4-chlorophenyl)-4′-(2-pyrrolidinoethoxy)valerophenone, erythro-

Details

Stereochemistry	RACEMIC
Molecular Formula	C29H32ClNO2
Molecular Weight	462.023
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-Phenyl-3-(4-chlorophenyl)-4′-(2-pyrrolidinoethoxy)valerophenone, erythro-

Structure Search

SMILES

CC[C@@H]([C@@H](C(=O)C1=CC=C(OCCN2CCCC2)C=C1)C3=CC=CC=C3)C4=CC=C(Cl)C=C4

InChI

InChIKey=YVJCVDITPPOTEG-IZLXSDGUSA-N

InChI=1S/C29H32ClNO2/c1-2-27(22-10-14-25(30)15-11-22)28(23-8-4-3-5-9-23)29(32)24-12-16-26(17-13-24)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

Molecular Formula	C29H32ClNO2
Molecular Weight	462.023
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:28:40 GMT 2023` Edited by `admin` on `Sat Dec 16 09:28:40 GMT 2023`
Record UNII	NJB3ZA2RYK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-Phenyl-3-(4-chlorophenyl)-4′-(2-pyrrolidinoethoxy)valerophenone, erythro-

Common Name

English

erythro-2-Phenyl-3-(4-chlorophenyl)-4′-(2-pyrrolidinoethoxy)valerophenone

Common Name

English

VALEROPHENONE, 3-(P-CHLOROPHENYL)-2-PHENYL-4'-(2-(1-PYRROLIDINYL)ETHOXY)-, ERYTHRO-

Common Name

English

1-Pentanone, 3-(4-chlorophenyl)-2-phenyl-1-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-, (R*,S*)-

Systematic Name

English

Code System Code Type Description

FDA UNII

NJB3ZA2RYK

Created by admin on Sat Dec 16 09:28:40 GMT 2023 , Edited by admin on Sat Dec 16 09:28:40 GMT 2023

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EPA CompTox

DTXSID80953343

Created by admin on Sat Dec 16 09:28:40 GMT 2023 , Edited by admin on Sat Dec 16 09:28:40 GMT 2023

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PUBCHEM

207966

Created by admin on Sat Dec 16 09:28:40 GMT 2023 , Edited by admin on Sat Dec 16 09:28:40 GMT 2023

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CAS

31301-19-6

Created by admin on Sat Dec 16 09:28:40 GMT 2023 , Edited by admin on Sat Dec 16 09:28:40 GMT 2023

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