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

Systemtic Name: [1-[(3-methylphenyl)amino]-1-oxidanylidene-butan-2-yl] 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate Openeye Name: 1-(m-tolylcarbamoyl)propyl 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylic acid [1-(3-methylanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(3-methylanilino)-1-oxobutan-2-yl] 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate Traditional Name: 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylic acid 1-(m-tolylcarbamoyl)propyl ester Formula: C26H25N3O4 MolecularWeight: 443.4944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25N3O4/c1-4-23(25(30)27-19-7-5-6-16(2)14-19)33-26(31)18-10-13-21-22(15-18)29-24(28-21)17-8-11-20(32-3)12-9-17/h5-15,23H,4H2,1-3H3,(H,27,30)(H,28,29)