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

Systemtic Name: methyl 3-[[2-cyanoethyl-(phenylmethyl)carbamoyl]amino]benzoate Openeye Name: methyl 3-[[benzyl(2-cyanoethyl)carbamoyl]amino]benzoate CAS Name: 3-[[[2-cyanoethyl-(phenylmethyl)amino]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[benzyl(2-cyanoethyl)carbamoyl]amino]benzoate Traditional Name: 3-[[benzyl(2-cyanoethyl)carbamoyl]amino]benzoic acid methyl ester Formula: C19H19N3O3 MolecularWeight: 337.37246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O3/c1-25-18(23)16-9-5-10-17(13-16)21-19(24)22(12-6-11-20)14-15-7-3-2-4-8-15/h2-5,7-10,13H,6,12,14H2,1H3,(H,21,24)