methyl 3-[[N-cyano-N'-(phenylmethyl)carbamimidoyl]amino]benzoate

Systemtic Name: methyl 3-[[N-cyano-N'-(phenylmethyl)carbamimidoyl]amino]benzoate Openeye Name: methyl 3-[(N'-benzyl-N-cyano-carbamimidoyl)amino]benzoate CAS Name: 3-[[(cyanoamino)-(phenylmethyl)iminomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(N'-benzyl-N-cyanocarbamimidoyl)amino]benzoate Traditional Name: 3-[(N'-benzyl-N-cyano-amidino)amino]benzoic acid methyl ester Formula: C17H16N4O2 MolecularWeight: 308.33454

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=NCC2=CC=CC=C2)NC#N

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=NCC2=CC=CC=C2)NC#N

InChI

InChI=1S/C17H16N4O2/c1-23-16(22)14-8-5-9-15(10-14)21-17(20-12-18)19-11-13-6-3-2-4-7-13/h2-10H,11H2,1H3,(H2,19,20,21)