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

Systemtic Name: [2-[2-cyanoethyl-(phenylmethyl)carbamoyl]phenyl]methyl benzoate Openeye Name: [2-[benzyl(2-cyanoethyl)carbamoyl]phenyl]methyl benzoate CAS Name: benzoic acid [2-[[2-cyanoethyl-(phenylmethyl)amino]-oxomethyl]phenyl]methyl ester IUPAC Name: [2-[benzyl(2-cyanoethyl)carbamoyl]phenyl]methyl benzoate Traditional Name: benzoic acid [2-[benzyl(2-cyanoethyl)carbamoyl]benzyl] ester Formula: C25H22N2O3 MolecularWeight: 398.45378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCC#N)C(=O)C2=CC=CC=C2COC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CN(CCC#N)C(=O)C2=CC=CC=C2COC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H22N2O3/c26-16-9-17-27(18-20-10-3-1-4-11-20)24(28)23-15-8-7-14-22(23)19-30-25(29)21-12-5-2-6-13-21/h1-8,10-15H,9,17-19H2