1,1-Dimethylethyl 2-[[[4-[[(1,1-dimethylethoxy)carbonyl]amino]butyl](5,6,7,8-tetrahydro-8-quinolinyl)amino]methyl]-1H-benzimidazole-1-carboxylate

Details

Stereochemistry	RACEMIC
Molecular Formula	C31H43N5O4
Molecular Weight	549.7042
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1,1-Dimethylethyl 2-[[[4-[[(1,1-dimethylethoxy)carbonyl]amino]butyl](5,6,7,8-tetrahydro-8-quinolinyl)amino]methyl]-1H-benzimidazole-1-carboxylate

Structure Search

SMILES

CC(C)(C)OC(=O)NCCCCN(CC1=NC2=C(C=CC=C2)N1C(=O)OC(C)(C)C)C3CCCC4=CC=CN=C34

InChI

InChIKey=QJNGQOIWXRTCJX-UHFFFAOYSA-N

InChI=1S/C31H43N5O4/c1-30(2,3)39-28(37)33-18-9-10-20-35(25-17-11-13-22-14-12-19-32-27(22)25)21-26-34-23-15-7-8-16-24(23)36(26)29(38)40-31(4,5)6/h7-8,12,14-16,19,25H,9-11,13,17-18,20-21H2,1-6H3,(H,33,37)

HIDE SMILES / InChI

Molecular Formula	C31H43N5O4
Molecular Weight	549.7042
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 18:03:45 GMT 2025` Edited by `admin` on `Wed Apr 02 18:03:45 GMT 2025`
Record UNII	WS2F34UHH4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,1-Dimethylethyl 2-[[[4-[[(1,1-dimethylethoxy)carbonyl]amino]butyl](5,6,7,8-tetrahydro-8-quinolinyl)amino]methyl]-1H-benzimidazole-1-carboxylate

Systematic Name

English

1H-Benzimidazole-1-carboxylic acid, 2-[[[4-[[(1,1-dimethylethoxy)carbonyl]amino]butyl](5,6,7,8-tetrahydro-8-quinolinyl)amino]methyl]-, 1,1-dimethylethyl ester

Preferred Name

English

Code System Code Type Description

FDA UNII

WS2F34UHH4

Created by admin on Wed Apr 02 18:03:45 GMT 2025 , Edited by admin on Wed Apr 02 18:03:45 GMT 2025

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PUBCHEM

42609433

Created by admin on Wed Apr 02 18:03:45 GMT 2025 , Edited by admin on Wed Apr 02 18:03:45 GMT 2025

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CAS

1184914-98-4

Created by admin on Wed Apr 02 18:03:45 GMT 2025 , Edited by admin on Wed Apr 02 18:03:45 GMT 2025

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