methyl 3-(3-carbamimidoylphenyl)-5-[(quinolin-2-ylcarbonylamino)methyl]benzoate

Systemtic Name: methyl 3-(3-carbamimidoylphenyl)-5-[(quinolin-2-ylcarbonylamino)methyl]benzoate Openeye Name: methyl 3-(3-carbamimidoylphenyl)-5-[(quinoline-2-carbonylamino)methyl]benzoate CAS Name: 3-(3-carbamimidoylphenyl)-5-[[[oxo(2-quinolinyl)methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-(3-carbamimidoylphenyl)-5-[(quinoline-2-carbonylamino)methyl]benzoate Traditional Name: 3-(3-amidinophenyl)-5-[(quinaldoylamino)methyl]benzoic acid methyl ester Formula: C26H22N4O3 MolecularWeight: 438.47788

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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=NC4=CC=CC=C4C=C3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C2=CC(=CC=C2)C(=N)N)CNC(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H22N4O3/c1-33-26(32)21-12-16(11-20(14-21)18-6-4-7-19(13-18)24(27)28)15-29-25(31)23-10-9-17-5-2-3-8-22(17)30-23/h2-14H,15H2,1H3,(H3,27,28)(H,29,31)