Methyl 2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-4-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-enyl]methyl]piperazin-1-yl]benzoate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C34H37ClN4O3
Molecular Weight	585.136
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Methyl 2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-4-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-enyl]methyl]piperazin-1-yl]benzoate

Structure Search

SMILES

COC(=O)C1=CC=C(C=C1OC2=CC3=C(NC=C3)N=C2)N4CCN(CC5=C(CC(C)(C)CC5)C6=CC=C(Cl)C=C6)CC4

InChI

InChIKey=WTJICTJVHMECBX-UHFFFAOYSA-N

InChI=1S/C34H37ClN4O3/c1-34(2)12-10-25(30(20-34)23-4-6-26(35)7-5-23)22-38-14-16-39(17-15-38)27-8-9-29(33(40)41-3)31(19-27)42-28-18-24-11-13-36-32(24)37-21-28/h4-9,11,13,18-19,21H,10,12,14-17,20,22H2,1-3H3,(H,36,37)

HIDE SMILES / InChI

Molecular Formula	C34H37ClN4O3
Molecular Weight	585.136
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 20:28:50 GMT 2025` Edited by `admin` on `Wed Apr 02 20:28:50 GMT 2025`
Record UNII	7F46YE3R46
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Methyl 2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-4-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-enyl]methyl]piperazin-1-yl]benzoate

Systematic Name

English

Benzoic acid, 4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-, methyl ester

Preferred Name

English

Methyl 4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoate

Systematic Name

English

Code System Code Type Description

PUBCHEM

66713260

Created by admin on Wed Apr 02 20:28:50 GMT 2025 , Edited by admin on Wed Apr 02 20:28:50 GMT 2025

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FDA UNII

7F46YE3R46

Created by admin on Wed Apr 02 20:28:50 GMT 2025 , Edited by admin on Wed Apr 02 20:28:50 GMT 2025

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CAS

1235865-76-5

Created by admin on Wed Apr 02 20:28:50 GMT 2025 , Edited by admin on Wed Apr 02 20:28:50 GMT 2025

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