methyl 3-(3-carbamimidoylphenyl)-5-[(phenylcarbamoylamino)methyl]benzoate

Systemtic Name: methyl 3-(3-carbamimidoylphenyl)-5-[(phenylcarbamoylamino)methyl]benzoate Openeye Name: methyl 3-(3-carbamimidoylphenyl)-5-[(phenylcarbamoylamino)methyl]benzoate CAS Name: 3-[[[anilino(oxo)methyl]amino]methyl]-5-(3-carbamimidoylphenyl)benzoic acid methyl ester IUPAC Name: methyl 3-(3-carbamimidoylphenyl)-5-[(phenylcarbamoylamino)methyl]benzoate Traditional Name: 3-(3-amidinophenyl)-5-[(phenylcarbamoylamino)methyl]benzoic acid methyl ester Formula: C23H22N4O3 MolecularWeight: 402.44578

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C2=CC(=CC=C2)C(=N)N)CNC(=O)NC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C2=CC(=CC=C2)C(=N)N)CNC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C23H22N4O3/c1-30-22(28)19-11-15(14-26-23(29)27-20-8-3-2-4-9-20)10-18(13-19)16-6-5-7-17(12-16)21(24)25/h2-13H,14H2,1H3,(H3,24,25)(H2,26,27,29)