[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 1-methylindole-3-carboxylate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 1-methylindole-3-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 1-methylindole-3-carboxylate CAS Name: 1-methyl-3-indolecarboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 1-methylindole-3-carboxylate Traditional Name: 1-methylindole-3-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:

CN1C=C(C2=CC=CC=C21)C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3

InChI

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