(phenylmethyl) 1-(2-cyanoethyl)-3,5-dimethyl-indole-2-carboxylate

Systemtic Name: (phenylmethyl) 1-(2-cyanoethyl)-3,5-dimethyl-indole-2-carboxylate Openeye Name: benzyl 1-(2-cyanoethyl)-3,5-dimethyl-indole-2-carboxylate CAS Name: 1-(2-cyanoethyl)-3,5-dimethyl-2-indolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-(2-cyanoethyl)-3,5-dimethylindole-2-carboxylate Traditional Name: 1-(2-cyanoethyl)-3,5-dimethyl-indole-2-carboxylic acid benzyl ester Formula: C21H20N2O2 MolecularWeight: 332.3957

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2C)C(=O)OCC3=CC=CC=C3)CCC#N

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2C)C(=O)OCC3=CC=CC=C3)CCC#N

InChI

InChI=1S/C21H20N2O2/c1-15-9-10-19-18(13-15)16(2)20(23(19)12-6-11-22)21(24)25-14-17-7-4-3-5-8-17/h3-5,7-10,13H,6,12,14H2,1-2H3