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

Systemtic Name: methyl 3-(3-carbamimidoylphenyl)-5-[[(4-ethanoylphenyl)carbonylamino]methyl]benzoate Openeye Name: methyl 3-[[(4-acetylbenzoyl)amino]methyl]-5-(3-carbamimidoylphenyl)benzoate CAS Name: 3-[[[(4-acetylphenyl)-oxomethyl]amino]methyl]-5-(3-carbamimidoylphenyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[(4-acetylbenzoyl)amino]methyl]-5-(3-carbamimidoylphenyl)benzoate Traditional Name: 3-[[(4-acetylbenzoyl)amino]methyl]-5-(3-amidinophenyl)benzoic acid methyl ester Formula: C25H23N3O4 MolecularWeight: 429.46782

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C(=O)NCC2=CC(=CC(=C2)C(=O)OC)C3=CC(=CC=C3)C(=N)N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)C(=O)NCC2=CC(=CC(=C2)C(=O)OC)C3=CC(=CC=C3)C(=N)N

InChI

InChI=1S/C25H23N3O4/c1-15(29)17-6-8-18(9-7-17)24(30)28-14-16-10-21(13-22(11-16)25(31)32-2)19-4-3-5-20(12-19)23(26)27/h3-13H,14H2,1-2H3,(H3,26,27)(H,28,30)