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

Systemtic Name: tert-butyl 4-[2-(1,3-benzodioxol-5-yl)-3-oxidanylidene-3-phenylmethoxy-propyl]-2-ethyl-imidazole-1-carboxylate Openeye Name: tert-butyl 4-[2-(1,3-benzodioxol-5-yl)-3-benzyloxy-3-oxo-propyl]-2-ethyl-imidazole-1-carboxylate CAS Name: 4-[2-(1,3-benzodioxol-5-yl)-3-oxo-3-phenylmethoxypropyl]-2-ethyl-1-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(1,3-benzodioxol-5-yl)-3-oxo-3-phenylmethoxypropyl]-2-ethylimidazole-1-carboxylate Traditional Name: 4-[2-(1,3-benzodioxol-5-yl)-3-benzoxy-3-keto-propyl]-2-ethyl-imidazole-1-carboxylic acid tert-butyl ester Formula: C27H30N2O6 MolecularWeight: 478.5369

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=CN1C(=O)OC(C)(C)C)CC(C2=CC3=C(C=C2)OCO3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCC1=NC(=CN1C(=O)OC(C)(C)C)CC(C2=CC3=C(C=C2)OCO3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H30N2O6/c1-5-24-28-20(15-29(24)26(31)35-27(2,3)4)14-21(19-11-12-22-23(13-19)34-17-33-22)25(30)32-16-18-9-7-6-8-10-18/h6-13,15,21H,5,14,16-17H2,1-4H3