(phenylmethyl) (1S,2S)-2-methyl-2-(4-methylphenyl)-1-oxidanyl-4-oxidanylidene-cyclopentane-1-carboxylate

Systemtic Name: (phenylmethyl) (1S,2S)-2-methyl-2-(4-methylphenyl)-1-oxidanyl-4-oxidanylidene-cyclopentane-1-carboxylate Openeye Name: benzyl (1S,2S)-1-hydroxy-2-methyl-4-oxo-2-(p-tolyl)cyclopentanecarboxylate CAS Name: (1S,2S)-1-hydroxy-2-methyl-2-(4-methylphenyl)-4-oxo-1-cyclopentanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (1S,2S)-1-hydroxy-2-methyl-2-(4-methylphenyl)-4-oxocyclopentane-1-carboxylate Traditional Name: (1S,2S)-1-hydroxy-4-keto-2-methyl-2-(p-tolyl)cyclopentanecarboxylic acid benzyl ester Formula: C21H22O4 MolecularWeight: 338.39698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2(CC(=O)CC2(C(=O)OCC3=CC=CC=C3)O)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@@]2(CC(=O)C[C@]2(C(=O)OCC3=CC=CC=C3)O)C

InChI

InChI=1S/C21H22O4/c1-15-8-10-17(11-9-15)20(2)12-18(22)13-21(20,24)19(23)25-14-16-6-4-3-5-7-16/h3-11,24H,12-14H2,1-2H3/t20-,21+/m0/s1