tert-Butyl 6-cyano-2-(2-(4-ethyl-3-(4-morpholinopiperidin-1-yl)phenyl)propan-2-yl)-1H-indole-3-carboxylate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C34H44N4O3
Molecular Weight	556.7382
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of tert-Butyl 6-cyano-2-(2-(4-ethyl-3-(4-morpholinopiperidin-1-yl)phenyl)propan-2-yl)-1H-indole-3-carboxylate

Structure Search

SMILES

CCC1=CC=C(C=C1N2CCC(CC2)N3CCOCC3)C(C)(C)C4=C(C(=O)OC(C)(C)C)C5=C(N4)C=C(C=C5)C#N

InChI

InChIKey=ULNYFVQKXJYKEQ-UHFFFAOYSA-N

InChI=1S/C34H44N4O3/c1-7-24-9-10-25(21-29(24)38-14-12-26(13-15-38)37-16-18-40-19-17-37)34(5,6)31-30(32(39)41-33(2,3)4)27-11-8-23(22-35)20-28(27)36-31/h8-11,20-21,26,36H,7,12-19H2,1-6H3

HIDE SMILES / InChI

Molecular Formula	C34H44N4O3
Molecular Weight	556.7382
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 19:53:02 GMT 2025` Edited by `admin` on `Wed Apr 02 19:53:02 GMT 2025`
Record UNII	EDM6QT5MD6
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

tert-Butyl 6-cyano-2-(2-(4-ethyl-3-(4-morpholinopiperidin-1-yl)phenyl)propan-2-yl)-1H-indole-3-carboxylate

Systematic Name

English

Alectinib intermediate

Preferred Name

English

1H-Indole-3-carboxylic acid, 6-cyano-2-[1-[4-ethyl-3-[4-(4-morpholinyl)-1-piperidinyl]phenyl]-1-methylethyl]-, 1,1-dimethylethyl ester

Systematic Name

English

1,1-Dimethylethyl 6-cyano-2-[1-[4-ethyl-3-[4-(4-morpholinyl)-1-piperidinyl]phenyl]-1-methylethyl]-1H-indole-3-carboxylate

Systematic Name

English

Code System Code Type Description

PUBCHEM

101535514

Created by admin on Wed Apr 02 19:53:02 GMT 2025 , Edited by admin on Wed Apr 02 19:53:02 GMT 2025

PRIMARY

CAS

1256698-41-5

Created by admin on Wed Apr 02 19:53:02 GMT 2025 , Edited by admin on Wed Apr 02 19:53:02 GMT 2025

PRIMARY

FDA UNII

EDM6QT5MD6

Created by admin on Wed Apr 02 19:53:02 GMT 2025 , Edited by admin on Wed Apr 02 19:53:02 GMT 2025

PRIMARY

Related Record Type Details


					5XLY3YS9ZM

tert-Butyl 6-cyano-2-(2-(4-ethyl-3-(4-morpholinopiperidin-1-yl)phenyl)propan-2-yl)-1H-indole-3-carboxylate hydrochloride

SALT/SOLVATE -> PARENT

Amount: