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

Systemtic Name: tert-butyl 4-[2-(1,3-benzodioxol-5-yl)-3-oxidanylidene-3-phenylmethoxy-propyl]-2-butyl-imidazole-1-carboxylate Openeye Name: tert-butyl 4-[2-(1,3-benzodioxol-5-yl)-3-benzyloxy-3-oxo-propyl]-2-butyl-imidazole-1-carboxylate CAS Name: 4-[2-(1,3-benzodioxol-5-yl)-3-oxo-3-phenylmethoxypropyl]-2-butyl-1-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(1,3-benzodioxol-5-yl)-3-oxo-3-phenylmethoxypropyl]-2-butylimidazole-1-carboxylate Traditional Name: 4-[2-(1,3-benzodioxol-5-yl)-3-benzoxy-3-keto-propyl]-2-butyl-imidazole-1-carboxylic acid tert-butyl ester Formula: C29H34N2O6 MolecularWeight: 506.59006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H34N2O6/c1-5-6-12-26-30-22(17-31(26)28(33)37-29(2,3)4)16-23(21-13-14-24-25(15-21)36-19-35-24)27(32)34-18-20-10-8-7-9-11-20/h7-11,13-15,17,23H,5-6,12,16,18-19H2,1-4H3