[1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-butan-2-yl] 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylate

Systemtic Name: [1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-butan-2-yl] 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylate Openeye Name: 1-[(2,6-dimethylphenyl)carbamoyl]propyl 2-(p-tolyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylic acid [1-(2,6-dimethylanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(2,6-dimethylanilino)-1-oxobutan-2-yl] 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylate Traditional Name: 2-(p-tolyl)-3H-benzimidazole-5-carboxylic acid 1-[(2,6-dimethylphenyl)carbamoyl]propyl ester Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O3/c1-5-23(26(31)30-24-17(3)7-6-8-18(24)4)33-27(32)20-13-14-21-22(15-20)29-25(28-21)19-11-9-16(2)10-12-19/h6-15,23H,5H2,1-4H3,(H,28,29)(H,30,31)