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

Systemtic Name: bis(phenylmethyl) 4-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methyl-pyridin-3-yl]benzene-1,3-dicarboxylate Openeye Name: dibenzyl 4-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methyl-3-pyridyl]benzene-1,3-dicarboxylate CAS Name: 4-[2-[(4-carbamimidoylanilino)-oxomethyl]-6-methyl-3-pyridinyl]benzene-1,3-dicarboxylic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 4-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methylpyridin-3-yl]benzene-1,3-dicarboxylate Traditional Name: 4-[2-[(4-amidinophenyl)carbamoyl]-6-methyl-3-pyridyl]benzene-1,3-dicarboxylic acid dibenzyl ester Formula: C36H30N4O5 MolecularWeight: 598.6472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C36H30N4O5/c1-23-12-18-30(32(39-23)34(41)40-28-16-13-26(14-17-28)33(37)38)29-19-15-27(35(42)44-21-24-8-4-2-5-9-24)20-31(29)36(43)45-22-25-10-6-3-7-11-25/h2-20H,21-22H2,1H3,(H3,37,38)(H,40,41)