[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-butan-2-yl] 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylate

Systemtic Name: [1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-butan-2-yl] 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylate Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)propyl 2-(p-tolyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylic acid [1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxobutan-2-yl] 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylate Traditional Name: 2-(p-tolyl)-3H-benzimidazole-5-carboxylic acid 1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)propyl ester Formula: C27H25N3O5 MolecularWeight: 471.5045

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC2=C(C=C1)OCCO2)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)OCCO2)OC(=O)C3=CC4=C(C=C3)N=C(N4)C5=CC=C(C=C5)C

InChI

InChI=1S/C27H25N3O5/c1-3-22(26(31)28-19-9-11-23-24(15-19)34-13-12-33-23)35-27(32)18-8-10-20-21(14-18)30-25(29-20)17-6-4-16(2)5-7-17/h4-11,14-15,22H,3,12-13H2,1-2H3,(H,28,31)(H,29,30)