[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 4-methyl-1H-indole-2-carboxylate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 4-methyl-1H-indole-2-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 4-methyl-1H-indole-2-carboxylate CAS Name: 4-methyl-1H-indole-2-carboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 4-methyl-1H-indole-2-carboxylate Traditional Name: 4-methyl-1H-indole-2-carboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(NC2=CC=C1)C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3

Isomeric SMILES

CC1=C2C=C(NC2=CC=C1)C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3

InChI

InChI=1S/C21H19N3O3/c1-15-7-5-10-18-17(15)13-19(23-18)21(26)27-14-20(25)24(12-6-11-22)16-8-3-2-4-9-16/h2-5,7-10,13,23H,6,12,14H2,1H3