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

Systemtic Name: tert-butyl 4-[2-(1,3-benzodioxol-5-yl)-3-oxidanylidene-3-phenylmethoxy-propyl]-2-pentyl-imidazole-1-carboxylate Openeye Name: tert-butyl 4-[2-(1,3-benzodioxol-5-yl)-3-benzyloxy-3-oxo-propyl]-2-pentyl-imidazole-1-carboxylate CAS Name: 4-[2-(1,3-benzodioxol-5-yl)-3-oxo-3-phenylmethoxypropyl]-2-pentyl-1-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(1,3-benzodioxol-5-yl)-3-oxo-3-phenylmethoxypropyl]-2-pentylimidazole-1-carboxylate Traditional Name: 2-amyl-4-[2-(1,3-benzodioxol-5-yl)-3-benzoxy-3-keto-propyl]imidazole-1-carboxylic acid tert-butyl ester Formula: C30H36N2O6 MolecularWeight: 520.61664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NC(=CN1C(=O)OC(C)(C)C)CC(C2=CC3=C(C=C2)OCO3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCCCCC1=NC(=CN1C(=O)OC(C)(C)C)CC(C2=CC3=C(C=C2)OCO3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C30H36N2O6/c1-5-6-8-13-27-31-23(18-32(27)29(34)38-30(2,3)4)17-24(22-14-15-25-26(16-22)37-20-36-25)28(33)35-19-21-11-9-7-10-12-21/h7,9-12,14-16,18,24H,5-6,8,13,17,19-20H2,1-4H3