tert-butyl 5-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)-3-(2-methylpropyl)-2-propyl-imidazole-4-carboxylate

Systemtic Name: tert-butyl 5-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)-3-(2-methylpropyl)-2-propyl-imidazole-4-carboxylate Openeye Name: tert-butyl 5-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-3-isobutyl-2-propyl-imidazole-4-carboxylate CAS Name: 5-[[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]amino]-3-(2-methylpropyl)-2-propyl-4-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-3-(2-methylpropyl)-2-propylimidazole-4-carboxylate Traditional Name: 5-(2,3-dihydro-1,4-benzodioxin-3-carbonylamino)-3-isobutyl-2-propyl-imidazole-4-carboxylic acid tert-butyl ester Formula: C24H33N3O5 MolecularWeight: 443.53592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(N1CC(C)C)C(=O)OC(C)(C)C)NC(=O)C2COC3=CC=CC=C3O2

Isomeric SMILES

CCCC1=NC(=C(N1CC(C)C)C(=O)OC(C)(C)C)NC(=O)C2COC3=CC=CC=C3O2

InChI

InChI=1S/C24H33N3O5/c1-7-10-19-25-21(20(27(19)13-15(2)3)23(29)32-24(4,5)6)26-22(28)18-14-30-16-11-8-9-12-17(16)31-18/h8-9,11-12,15,18H,7,10,13-14H2,1-6H3,(H,26,28)