methyl 3-(3-carbamimidoylphenyl)-5-[(pyridin-3-ylcarbonylamino)methyl]benzoate

Systemtic Name: methyl 3-(3-carbamimidoylphenyl)-5-[(pyridin-3-ylcarbonylamino)methyl]benzoate Openeye Name: methyl 3-(3-carbamimidoylphenyl)-5-[(pyridine-3-carbonylamino)methyl]benzoate CAS Name: 3-(3-carbamimidoylphenyl)-5-[[[oxo(3-pyridinyl)methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-(3-carbamimidoylphenyl)-5-[(pyridine-3-carbonylamino)methyl]benzoate Traditional Name: 3-(3-amidinophenyl)-5-(nicotinamidomethyl)benzoic acid methyl ester Formula: C22H20N4O3 MolecularWeight: 388.4192

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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=CN=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O3/c1-29-22(28)19-9-14(12-26-21(27)17-6-3-7-25-13-17)8-18(11-19)15-4-2-5-16(10-15)20(23)24/h2-11,13H,12H2,1H3,(H3,23,24)(H,26,27)