(phenylmethyl) 5-cyanoindole-1-carboxylate

Systemtic Name: (phenylmethyl) 5-cyanoindole-1-carboxylate Openeye Name: benzyl 5-cyanoindole-1-carboxylate CAS Name: 5-cyano-1-indolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-cyanoindole-1-carboxylate Traditional Name: 5-cyanoindole-1-carboxylic acid benzyl ester Formula: C17H12N2O2 MolecularWeight: 276.28938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)N2C=CC3=C2C=CC(=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N2C=CC3=C2C=CC(=C3)C#N

InChI

InChI=1S/C17H12N2O2/c18-11-14-6-7-16-15(10-14)8-9-19(16)17(20)21-12-13-4-2-1-3-5-13/h1-10H,12H2