[1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-indol-1-ylpropanoate

Systemtic Name: [1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-indol-1-ylpropanoate Openeye Name: [2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 3-indol-1-ylpropanoate CAS Name: 3-(1-indolyl)propanoic acid [1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-cyanoanilino)-1-oxopropan-2-yl] 3-indol-1-ylpropanoate Traditional Name: 3-indol-1-ylpropionic acid [2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)CCN2C=CC3=CC=CC=C32

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)CCN2C=CC3=CC=CC=C32

InChI

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