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

Systemtic Name: tert-butyl 5-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)-2-ethyl-3-(phenylmethyl)imidazole-4-carboxylate Openeye Name: tert-butyl 3-benzyl-5-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-2-ethyl-imidazole-4-carboxylate CAS Name: 5-[[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]amino]-2-ethyl-3-(phenylmethyl)-4-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-benzyl-5-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-2-ethylimidazole-4-carboxylate Traditional Name: 3-benzyl-5-(2,3-dihydro-1,4-benzodioxin-3-carbonylamino)-2-ethyl-imidazole-4-carboxylic acid tert-butyl ester Formula: C26H29N3O5 MolecularWeight: 463.52556

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(N1CC2=CC=CC=C2)C(=O)OC(C)(C)C)NC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CCC1=NC(=C(N1CC2=CC=CC=C2)C(=O)OC(C)(C)C)NC(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C26H29N3O5/c1-5-21-27-23(28-24(30)20-16-32-18-13-9-10-14-19(18)33-20)22(25(31)34-26(2,3)4)29(21)15-17-11-7-6-8-12-17/h6-14,20H,5,15-16H2,1-4H3,(H,28,30)