[2-(2,2-dicyano-1-phenyl-ethyl)-1-methyl-indol-3-yl] ethanoate

Systemtic Name: [2-(2,2-dicyano-1-phenyl-ethyl)-1-methyl-indol-3-yl] ethanoate Openeye Name: [2-(2,2-dicyano-1-phenyl-ethyl)-1-methyl-indol-3-yl] acetate CAS Name: acetic acid [2-(2,2-dicyano-1-phenylethyl)-1-methyl-3-indolyl] ester IUPAC Name: [2-(2,2-dicyano-1-phenylethyl)-1-methylindol-3-yl] acetate Traditional Name: acetic acid [2-(2,2-dicyano-1-phenyl-ethyl)-1-methyl-indol-3-yl] ester Formula: C21H17N3O2 MolecularWeight: 343.37858

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(N(C2=CC=CC=C21)C)C(C3=CC=CC=C3)C(C#N)C#N

Isomeric SMILES

CC(=O)OC1=C(N(C2=CC=CC=C21)C)C(C3=CC=CC=C3)C(C#N)C#N

InChI

InChI=1S/C21H17N3O2/c1-14(25)26-21-17-10-6-7-11-18(17)24(2)20(21)19(16(12-22)13-23)15-8-4-3-5-9-15/h3-11,16,19H,1-2H3