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

Systemtic Name: [1-[(3,4-dimethylphenyl)amino]-1-oxidanylidene-butan-2-yl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Openeye Name: 1-[(3,4-dimethylphenyl)carbamoyl]propyl 2-(3-pyridyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(3-pyridinyl)-3H-benzimidazole-5-carboxylic acid [1-(3,4-dimethylanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(3,4-dimethylanilino)-1-oxobutan-2-yl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Traditional Name: 2-(3-pyridyl)-3H-benzimidazole-5-carboxylic acid 1-[(3,4-dimethylphenyl)carbamoyl]propyl ester Formula: C25H24N4O3 MolecularWeight: 428.48306

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H24N4O3/c1-4-22(24(30)27-19-9-7-15(2)16(3)12-19)32-25(31)17-8-10-20-21(13-17)29-23(28-20)18-6-5-11-26-14-18/h5-14,22H,4H2,1-3H3,(H,27,30)(H,28,29)