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

Systemtic Name: methyl 3-(3-carbamimidoylphenyl)-5-[(2-phenylethanoylamino)methyl]benzoate Openeye Name: methyl 3-(3-carbamimidoylphenyl)-5-[[(2-phenylacetyl)amino]methyl]benzoate CAS Name: 3-(3-carbamimidoylphenyl)-5-[[(1-oxo-2-phenylethyl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-(3-carbamimidoylphenyl)-5-[[(2-phenylacetyl)amino]methyl]benzoate Traditional Name: 3-(3-amidinophenyl)-5-[[(2-phenylacetyl)amino]methyl]benzoic acid methyl ester Formula: C24H23N3O3 MolecularWeight: 401.45772

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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)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C2=CC(=CC=C2)C(=N)N)CNC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C24H23N3O3/c1-30-24(29)21-11-17(15-27-22(28)12-16-6-3-2-4-7-16)10-20(14-21)18-8-5-9-19(13-18)23(25)26/h2-11,13-14H,12,15H2,1H3,(H3,25,26)(H,27,28)