3-(m-methoxyphenyl)-2-phenyl-4′-[2-(1-pyrrolidinyl)ethoxy]Valerophenone, erythro-

Details

Stereochemistry	RACEMIC
Molecular Formula	C30H35NO3
Molecular Weight	457.6038
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-(m-methoxyphenyl)-2-phenyl-4′-[2-(1-pyrrolidinyl)ethoxy]Valerophenone, erythro-

Structure Search

SMILES

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

InChI

InChIKey=ZAAGNEMTBMRION-WDYNHAJCSA-N

InChI=1S/C30H35NO3/c1-3-28(25-12-9-13-27(22-25)33-2)29(23-10-5-4-6-11-23)30(32)24-14-16-26(17-15-24)34-21-20-31-18-7-8-19-31/h4-6,9-17,22,28-29H,3,7-8,18-21H2,1-2H3/t28-,29+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C30H35NO3
Molecular Weight	457.6038
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 08:38:38 GMT 2023` Edited by `admin` on `Sat Dec 16 08:38:38 GMT 2023`
Record UNII	X2YX7J5EMP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-(m-methoxyphenyl)-2-phenyl-4′-[2-(1-pyrrolidinyl)ethoxy]Valerophenone, erythro-

Systematic Name

English

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

Systematic Name

English

Valerophenone, 3-(m-methoxyphenyl)-2-phenyl-4′-[2-(1-pyrrolidinyl)ethoxy]-, erythro-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID70954889

Created by admin on Sat Dec 16 08:38:38 GMT 2023 , Edited by admin on Sat Dec 16 08:38:38 GMT 2023

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PUBCHEM

214467

Created by admin on Sat Dec 16 08:38:38 GMT 2023 , Edited by admin on Sat Dec 16 08:38:38 GMT 2023

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FDA UNII

X2YX7J5EMP

Created by admin on Sat Dec 16 08:38:38 GMT 2023 , Edited by admin on Sat Dec 16 08:38:38 GMT 2023

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CAS

33249-16-0

Created by admin on Sat Dec 16 08:38:38 GMT 2023 , Edited by admin on Sat Dec 16 08:38:38 GMT 2023

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