methyl 3-[(2-benzamidoethanoylamino)methyl]-5-(3-carbamimidoylphenyl)benzoate

Systemtic Name: methyl 3-[(2-benzamidoethanoylamino)methyl]-5-(3-carbamimidoylphenyl)benzoate Openeye Name: methyl 3-[[(2-benzamidoacetyl)amino]methyl]-5-(3-carbamimidoylphenyl)benzoate CAS Name: 3-[[(2-benzamido-1-oxoethyl)amino]methyl]-5-(3-carbamimidoylphenyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[(2-benzamidoacetyl)amino]methyl]-5-(3-carbamimidoylphenyl)benzoate Traditional Name: 3-(3-amidinophenyl)-5-[(hippuroylamino)methyl]benzoic acid methyl ester Formula: C25H24N4O4 MolecularWeight: 444.48246

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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)CNC(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C25H24N4O4/c1-33-25(32)21-11-16(10-20(13-21)18-8-5-9-19(12-18)23(26)27)14-28-22(30)15-29-24(31)17-6-3-2-4-7-17/h2-13H,14-15H2,1H3,(H3,26,27)(H,28,30)(H,29,31)