1H-Indole-6-carboxylic acid, 2,3-dihydro-3-[[[4-[methyl[2-(4-methyl-1,4-dioxido-1-piperazinyl)acetyl]amino]phenyl]amino]phenylmethylene]-2-oxo-, methyl ester, (3Z)-

Details

Stereochemistry	ACHIRAL
Molecular Formula	C31H33N5O6
Molecular Weight	571.6236
Optical Activity	NONE
Defined Stereocenters	0 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 1H-Indole-6-carboxylic acid, 2,3-dihydro-3-[[[4-[methyl[2-(4-methyl-1,4-dioxido-1-piperazinyl)acetyl]amino]phenyl]amino]phenylmethylene]-2-oxo-, methyl ester, (3Z)-

Structure Search

SMILES

COC(=O)C1=CC2=C(C=C1)\C(C(=O)N2)=C(\NC3=CC=C(C=C3)N(C)C(=O)C[N+]4([O-])CC[N+](C)([O-])CC4)C5=CC=CC=C5

InChI

InChIKey=ATFPNXPRKWMSGD-ZIADKAODSA-N

InChI=1S/C31H33N5O6/c1-34(27(37)20-36(41)17-15-35(2,40)16-18-36)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)42-3)19-26(25)33-30(28)38/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,38)/b29-28-

HIDE SMILES / InChI

Molecular Formula	C31H33N5O6
Molecular Weight	571.6236
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 2
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 09:27:27 GMT 2025` Edited by `admin` on `Wed Apr 02 09:27:27 GMT 2025`
Record UNII	B9CKS4C33U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1H-Indole-6-carboxylic acid, 2,3-dihydro-3-[[[4-[methyl[2-(4-methyl-1,4-dioxido-1-piperazinyl)acetyl]amino]phenyl]amino]phenylmethylene]-2-oxo-, methyl ester, (3Z)-

Preferred Name

English

Code System Code Type Description

CAS

3029899-97-3

Created by admin on Wed Apr 02 09:27:27 GMT 2025 , Edited by admin on Wed Apr 02 09:27:27 GMT 2025

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FDA UNII

B9CKS4C33U

Created by admin on Wed Apr 02 09:27:27 GMT 2025 , Edited by admin on Wed Apr 02 09:27:27 GMT 2025

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