[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 1-phenylcyclopentane-1-carboxylate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 1-phenylcyclopentane-1-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] 1-phenylcyclopentanecarboxylate CAS Name: 1-phenyl-1-cyclopentanecarboxylic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate Traditional Name: 1-phenylcyclopentanecarboxylic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C21H20O5 MolecularWeight: 352.3805

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C2=CC=CC=C2)C(=O)OCC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCC(C1)(C2=CC=CC=C2)C(=O)OCC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H20O5/c22-17(15-8-9-18-19(12-15)26-14-25-18)13-24-20(23)21(10-4-5-11-21)16-6-2-1-3-7-16/h1-3,6-9,12H,4-5,10-11,13-14H2