methyl 3-[[(4-aminophenyl)carbonylamino]methyl]-5-(3-carbamimidoylphenyl)benzoate

Systemtic Name: methyl 3-[[(4-aminophenyl)carbonylamino]methyl]-5-(3-carbamimidoylphenyl)benzoate Openeye Name: methyl 3-[[(4-aminobenzoyl)amino]methyl]-5-(3-carbamimidoylphenyl)benzoate CAS Name: 3-[[[(4-aminophenyl)-oxomethyl]amino]methyl]-5-(3-carbamimidoylphenyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[(4-aminobenzoyl)amino]methyl]-5-(3-carbamimidoylphenyl)benzoate Traditional Name: 3-(3-amidinophenyl)-5-[[(4-aminobenzoyl)amino]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)C3=CC=C(C=C3)N

Isomeric SMILES

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

InChI

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