methyl 3-[(2-benzamidophenyl)carbonyliminomethylamino]-4-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 3-[(2-benzamidophenyl)carbonyliminomethylamino]-4-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxylate Openeye Name: methyl 3-[(2-benzamidobenzoyl)iminomethylamino]-4-(3-pyridylmethyl)-1H-pyrrole-2-carboxylate CAS Name: 3-[[(2-benzamidophenyl)-oxomethyl]iminomethylamino]-4-(3-pyridinylmethyl)-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[(2-benzamidobenzoyl)iminomethylamino]-4-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxylate Traditional Name: 3-[(2-benzamidobenzoyl)iminomethylamino]-4-(3-pyridylmethyl)-1H-pyrrole-2-carboxylic acid methyl ester Formula: C27H23N5O4 MolecularWeight: 481.50262

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CN1)CC2=CN=CC=C2)NC=NC(=O)C3=CC=CC=C3NC(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C(=CN1)CC2=CN=CC=C2)NC=NC(=O)C3=CC=CC=C3NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H23N5O4/c1-36-27(35)24-23(20(16-29-24)14-18-8-7-13-28-15-18)30-17-31-26(34)21-11-5-6-12-22(21)32-25(33)19-9-3-2-4-10-19/h2-13,15-17,29H,14H2,1H3,(H,32,33)(H,30,31,34)