[1-[(4-methylphenyl)amino]-1-oxidanylidene-butan-2-yl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate

Systemtic Name: [1-[(4-methylphenyl)amino]-1-oxidanylidene-butan-2-yl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Openeye Name: 1-(p-tolylcarbamoyl)propyl 2-(3-pyridyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(3-pyridinyl)-3H-benzimidazole-5-carboxylic acid [1-(4-methylanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(4-methylanilino)-1-oxobutan-2-yl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Traditional Name: 2-(3-pyridyl)-3H-benzimidazole-5-carboxylic acid 1-(p-tolylcarbamoyl)propyl ester Formula: C24H22N4O3 MolecularWeight: 414.45648

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C)OC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CN=CC=C4

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C)OC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CN=CC=C4

InChI

InChI=1S/C24H22N4O3/c1-3-21(23(29)26-18-9-6-15(2)7-10-18)31-24(30)16-8-11-19-20(13-16)28-22(27-19)17-5-4-12-25-14-17/h4-14,21H,3H2,1-2H3,(H,26,29)(H,27,28)