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

Systemtic Name: [1-[(3,4-dimethylphenyl)amino]-1-oxidanylidene-butan-2-yl] 2-phenyl-3H-benzimidazole-5-carboxylate Openeye Name: 1-[(3,4-dimethylphenyl)carbamoyl]propyl 2-phenyl-3H-benzimidazole-5-carboxylate CAS Name: 2-phenyl-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-phenyl-3H-benzimidazole-5-carboxylate Traditional Name: 2-phenyl-3H-benzimidazole-5-carboxylic acid 1-[(3,4-dimethylphenyl)carbamoyl]propyl ester Formula: C26H25N3O3 MolecularWeight: 427.495

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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=CC=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=CC=CC=C4

InChI

InChI=1S/C26H25N3O3/c1-4-23(25(30)27-20-12-10-16(2)17(3)14-20)32-26(31)19-11-13-21-22(15-19)29-24(28-21)18-8-6-5-7-9-18/h5-15,23H,4H2,1-3H3,(H,27,30)(H,28,29)