α-[4-[[(2,4-Dimethylbenzoyl)oxy]methyl]phenyl]-1,3-dihydro-1,3-dioxo-2H-isoindole-2-propanoic acid, (αS)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H23NO6
Molecular Weight	457.4746
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of α-[4-[[(2,4-Dimethylbenzoyl)oxy]methyl]phenyl]-1,3-dihydro-1,3-dioxo-2H-isoindole-2-propanoic acid, (αS)-

Structure Search

SMILES

CC1=CC(C)=C(C=C1)C(=O)OCC2=CC=C(C=C2)[C@@H](CN3C(=O)C4=CC=CC=C4C3=O)C(O)=O

InChI

InChIKey=VZNRHIWGTDSCAI-HSZRJFAPSA-N

InChI=1S/C27H23NO6/c1-16-7-12-20(17(2)13-16)27(33)34-15-18-8-10-19(11-9-18)23(26(31)32)14-28-24(29)21-5-3-4-6-22(21)25(28)30/h3-13,23H,14-15H2,1-2H3,(H,31,32)/t23-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C27H23NO6
Molecular Weight	457.4746
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:23:43 GMT 2023` Edited by `admin` on `Sat Dec 16 19:23:43 GMT 2023`
Record UNII	XDW5975XG9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

α-[4-[[(2,4-Dimethylbenzoyl)oxy]methyl]phenyl]-1,3-dihydro-1,3-dioxo-2H-isoindole-2-propanoic acid, (αS)-

Common Name

English

2H-Isoindole-2-propanoic acid, α-[4-[[(2,4-dimethylbenzoyl)oxy]methyl]phenyl]-1,3-dihydro-1,3-dioxo-, (αS)-

Systematic Name

English

(αS)-α-[4-[[(2,4-Dimethylbenzoyl)oxy]methyl]phenyl]-1,3-dihydro-1,3-dioxo-2H-isoindole-2-propanoic acid

Systematic Name

English

Code System Code Type Description

CAS

2574473-84-8

Created by admin on Sat Dec 16 19:23:43 GMT 2023 , Edited by admin on Sat Dec 16 19:23:43 GMT 2023

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FDA UNII

XDW5975XG9

Created by admin on Sat Dec 16 19:23:43 GMT 2023 , Edited by admin on Sat Dec 16 19:23:43 GMT 2023

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PUBCHEM

156664915

Created by admin on Sat Dec 16 19:23:43 GMT 2023 , Edited by admin on Sat Dec 16 19:23:43 GMT 2023

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