bis(phenylmethyl) 4-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-pyridin-3-yl]benzene-1,3-dicarboxylate

Systemtic Name: bis(phenylmethyl) 4-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-pyridin-3-yl]benzene-1,3-dicarboxylate Openeye Name: dibenzyl 4-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-3-pyridyl]benzene-1,3-dicarboxylate CAS Name: 4-[2-[(4-carbamimidoylanilino)-oxomethyl]-6-methoxy-3-pyridinyl]benzene-1,3-dicarboxylic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 4-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxypyridin-3-yl]benzene-1,3-dicarboxylate Traditional Name: 4-[2-[(4-amidinophenyl)carbamoyl]-6-methoxy-3-pyridyl]benzene-1,3-dicarboxylic acid dibenzyl ester Formula: C36H30N4O6 MolecularWeight: 614.6466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=C(C=C1)C2=C(C=C(C=C2)C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)C(=O)NC5=CC=C(C=C5)C(=N)N

Isomeric SMILES

COC1=NC(=C(C=C1)C2=C(C=C(C=C2)C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)C(=O)NC5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C36H30N4O6/c1-44-31-19-18-29(32(40-31)34(41)39-27-15-12-25(13-16-27)33(37)38)28-17-14-26(35(42)45-21-23-8-4-2-5-9-23)20-30(28)36(43)46-22-24-10-6-3-7-11-24/h2-20H,21-22H2,1H3,(H3,37,38)(H,39,41)