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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC(=C1C)C)OC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CN=CC=C4

Isomeric SMILES

CCC(C(=O)NC1=CC=CC(=C1C)C)OC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CN=CC=C4

InChI

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