tert-butyl 4-[2-(1,3-benzodioxol-5-yl)-1-oxidanyl-3-oxidanylidene-3-phenylmethoxy-propyl]-2-butyl-imidazole-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(1,3-benzodioxol-5-yl)-1-oxidanyl-3-oxidanylidene-3-phenylmethoxy-propyl]-2-butyl-imidazole-1-carboxylate Openeye Name: tert-butyl 4-[2-(1,3-benzodioxol-5-yl)-3-benzyloxy-1-hydroxy-3-oxo-propyl]-2-butyl-imidazole-1-carboxylate CAS Name: 4-[2-(1,3-benzodioxol-5-yl)-1-hydroxy-3-oxo-3-phenylmethoxypropyl]-2-butyl-1-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(1,3-benzodioxol-5-yl)-1-hydroxy-3-oxo-3-phenylmethoxypropyl]-2-butylimidazole-1-carboxylate Traditional Name: 4-[2-(1,3-benzodioxol-5-yl)-3-benzoxy-1-hydroxy-3-keto-propyl]-2-butyl-imidazole-1-carboxylic acid tert-butyl ester Formula: C29H34N2O7 MolecularWeight: 522.58946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=CN1C(=O)OC(C)(C)C)C(C(C2=CC3=C(C=C2)OCO3)C(=O)OCC4=CC=CC=C4)O

Isomeric SMILES

CCCCC1=NC(=CN1C(=O)OC(C)(C)C)C(C(C2=CC3=C(C=C2)OCO3)C(=O)OCC4=CC=CC=C4)O

InChI

InChI=1S/C29H34N2O7/c1-5-6-12-24-30-21(16-31(24)28(34)38-29(2,3)4)26(32)25(20-13-14-22-23(15-20)37-18-36-22)27(33)35-17-19-10-8-7-9-11-19/h7-11,13-16,25-26,32H,5-6,12,17-18H2,1-4H3