methyl 2-[2-oxidanylidene-2-(pyridin-3-ylmethylamino)ethyl]-1-(phenylmethyl)benzimidazole-5-carboxylate

Systemtic Name: methyl 2-[2-oxidanylidene-2-(pyridin-3-ylmethylamino)ethyl]-1-(phenylmethyl)benzimidazole-5-carboxylate Openeye Name: methyl 1-benzyl-2-[2-oxo-2-(3-pyridylmethylamino)ethyl]benzimidazole-5-carboxylate CAS Name: 2-[2-oxo-2-(3-pyridinylmethylamino)ethyl]-1-(phenylmethyl)-5-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 1-benzyl-2-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]benzimidazole-5-carboxylate Traditional Name: 1-benzyl-2-[2-keto-2-(3-pyridylmethylamino)ethyl]benzimidazole-5-carboxylic acid methyl ester Formula: C24H22N4O3 MolecularWeight: 414.45648

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C(=N2)CC(=O)NCC3=CN=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C(=N2)CC(=O)NCC3=CN=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H22N4O3/c1-31-24(30)19-9-10-21-20(12-19)27-22(28(21)16-17-6-3-2-4-7-17)13-23(29)26-15-18-8-5-11-25-14-18/h2-12,14H,13,15-16H2,1H3,(H,26,29)