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

Systemtic Name: methyl 3-[[2-cyanoethanoyl-(phenylmethyl)carbamoyl]amino]benzoate Openeye Name: methyl 3-[[benzyl-(2-cyanoacetyl)carbamoyl]amino]benzoate CAS Name: 3-[[[(2-cyano-1-oxoethyl)-(phenylmethyl)amino]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[benzyl-(2-cyanoacetyl)carbamoyl]amino]benzoate Traditional Name: 3-[[benzyl-(2-cyanoacetyl)carbamoyl]amino]benzoic acid methyl ester Formula: C19H17N3O4 MolecularWeight: 351.35598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O4/c1-26-18(24)15-8-5-9-16(12-15)21-19(25)22(17(23)10-11-20)13-14-6-3-2-4-7-14/h2-9,12H,10,13H2,1H3,(H,21,25)