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

Systemtic Name: [1-[(4-ethoxyphenyl)amino]-1-oxidanylidene-butan-2-yl] 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylate Openeye Name: 1-[(4-ethoxyphenyl)carbamoyl]propyl 2-(p-tolyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylic acid [1-(4-ethoxyanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(4-ethoxyanilino)-1-oxobutan-2-yl] 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylate Traditional Name: 2-(p-tolyl)-3H-benzimidazole-5-carboxylic acid 1-(p-phenetylcarbamoyl)propyl ester Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O4/c1-4-24(26(31)28-20-11-13-21(14-12-20)33-5-2)34-27(32)19-10-15-22-23(16-19)30-25(29-22)18-8-6-17(3)7-9-18/h6-16,24H,4-5H2,1-3H3,(H,28,31)(H,29,30)