[1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(1H-indol-3-yl)ethanoate

Systemtic Name: [1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(1H-indol-3-yl)ethanoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-1-methyl-2-oxo-ethyl] 2-(1H-indol-3-yl)acetate CAS Name: 2-(1H-indol-3-yl)acetic acid [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate Traditional Name: 2-(1H-indol-3-yl)acetic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC#N)C1=CC=CC=C1)OC(=O)CC2=CNC3=CC=CC=C32

Isomeric SMILES

CC(C(=O)N(CCC#N)C1=CC=CC=C1)OC(=O)CC2=CNC3=CC=CC=C32

InChI

InChI=1S/C22H21N3O3/c1-16(22(27)25(13-7-12-23)18-8-3-2-4-9-18)28-21(26)14-17-15-24-20-11-6-5-10-19(17)20/h2-6,8-11,15-16,24H,7,13-14H2,1H3