[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 4,6-dimethyl-1H-indole-2-carboxylate

Systemtic Name: [2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 4,6-dimethyl-1H-indole-2-carboxylate Openeye Name: [2-(4-cyanoanilino)-2-oxo-ethyl] 4,6-dimethyl-1H-indole-2-carboxylate CAS Name: 4,6-dimethyl-1H-indole-2-carboxylic acid [2-(4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-cyanoanilino)-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate Traditional Name: 4,6-dimethyl-1H-indole-2-carboxylic acid [2-(4-cyanoanilino)-2-keto-ethyl] ester Formula: C20H17N3O3 MolecularWeight: 347.36728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(NC2=C1)C(=O)OCC(=O)NC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CC1=CC(=C2C=C(NC2=C1)C(=O)OCC(=O)NC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C20H17N3O3/c1-12-7-13(2)16-9-18(23-17(16)8-12)20(25)26-11-19(24)22-15-5-3-14(10-21)4-6-15/h3-9,23H,11H2,1-2H3,(H,22,24)