methyl 3-[2-cyanoethyl-(phenylmethyl)carbamoyl]benzoate

Systemtic Name: methyl 3-[2-cyanoethyl-(phenylmethyl)carbamoyl]benzoate Openeye Name: methyl 3-[benzyl(2-cyanoethyl)carbamoyl]benzoate CAS Name: 3-[[2-cyanoethyl-(phenylmethyl)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[benzyl(2-cyanoethyl)carbamoyl]benzoate Traditional Name: 3-[benzyl(2-cyanoethyl)carbamoyl]benzoic acid methyl ester Formula: C19H18N2O3 MolecularWeight: 322.35782

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)N(CCC#N)CC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)N(CCC#N)CC2=CC=CC=C2

InChI

InChI=1S/C19H18N2O3/c1-24-19(23)17-10-5-9-16(13-17)18(22)21(12-6-11-20)14-15-7-3-2-4-8-15/h2-5,7-10,13H,6,12,14H2,1H3