tert-butyl 5-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)-3-(phenylmethyl)-2-propan-2-yl-imidazole-4-carboxylate

Systemtic Name: tert-butyl 5-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)-3-(phenylmethyl)-2-propan-2-yl-imidazole-4-carboxylate Openeye Name: tert-butyl 3-benzyl-5-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-2-isopropyl-imidazole-4-carboxylate CAS Name: 5-[[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]amino]-3-(phenylmethyl)-2-propan-2-yl-4-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-benzyl-5-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-2-propan-2-ylimidazole-4-carboxylate Traditional Name: 3-benzyl-5-(2,3-dihydro-1,4-benzodioxin-3-carbonylamino)-2-isopropyl-imidazole-4-carboxylic acid tert-butyl ester Formula: C27H31N3O5 MolecularWeight: 477.55214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=C(N1CC2=CC=CC=C2)C(=O)OC(C)(C)C)NC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CC(C)C1=NC(=C(N1CC2=CC=CC=C2)C(=O)OC(C)(C)C)NC(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C27H31N3O5/c1-17(2)24-28-23(29-25(31)21-16-33-19-13-9-10-14-20(19)34-21)22(26(32)35-27(3,4)5)30(24)15-18-11-7-6-8-12-18/h6-14,17,21H,15-16H2,1-5H3,(H,29,31)