[2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] 4-(1H-indol-3-yl)butanoate

Systemtic Name: [2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] 4-(1H-indol-3-yl)butanoate Openeye Name: [2-(2-cyanoanilino)-2-oxo-ethyl] 4-(1H-indol-3-yl)butanoate CAS Name: 4-(1H-indol-3-yl)butanoic acid [2-(2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate Traditional Name: 4-(1H-indol-3-yl)butyric acid [2-(2-cyanoanilino)-2-keto-ethyl] ester Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)NC(=O)COC(=O)CCCC2=CNC3=CC=CC=C32

Isomeric SMILES

C1=CC=C(C(=C1)C#N)NC(=O)COC(=O)CCCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C21H19N3O3/c22-12-15-6-1-3-9-18(15)24-20(25)14-27-21(26)11-5-7-16-13-23-19-10-4-2-8-17(16)19/h1-4,6,8-10,13,23H,5,7,11,14H2,(H,24,25)