[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-butan-2-yl] 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylate

Systemtic Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-butan-2-yl] 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylate Openeye Name: 1-(1,3-benzodioxol-5-ylcarbamoyl)propyl 2-(p-tolyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylic acid [1-(1,3-benzodioxol-5-ylamino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxobutan-2-yl] 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylate Traditional Name: 2-(p-tolyl)-3H-benzimidazole-5-carboxylic acid 1-(1,3-benzodioxol-5-ylcarbamoyl)propyl ester Formula: C26H23N3O5 MolecularWeight: 457.47792

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC4=C(C=C3)N=C(N4)C5=CC=C(C=C5)C

Isomeric SMILES

CCC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC4=C(C=C3)N=C(N4)C5=CC=C(C=C5)C

InChI

InChI=1S/C26H23N3O5/c1-3-21(25(30)27-18-9-11-22-23(13-18)33-14-32-22)34-26(31)17-8-10-19-20(12-17)29-24(28-19)16-6-4-15(2)5-7-16/h4-13,21H,3,14H2,1-2H3,(H,27,30)(H,28,29)