2-methylpropyl 3-oxidanyl-5-oxidanylidene-2-phenyl-cyclopentene-1-carboxylate

Systemtic Name: 2-methylpropyl 3-oxidanyl-5-oxidanylidene-2-phenyl-cyclopentene-1-carboxylate Openeye Name: isobutyl 3-hydroxy-5-oxo-2-phenyl-cyclopentene-1-carboxylate CAS Name: 3-hydroxy-5-oxo-2-phenyl-1-cyclopentenecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-hydroxy-5-oxo-2-phenylcyclopentene-1-carboxylate Traditional Name: 3-hydroxy-5-keto-2-phenyl-cyclopentene-1-carboxylic acid isobutyl ester Formula: C16H18O4 MolecularWeight: 274.31172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=C(C(CC1=O)O)C2=CC=CC=C2

Isomeric SMILES

CC(C)COC(=O)C1=C(C(CC1=O)O)C2=CC=CC=C2

InChI

InChI=1S/C16H18O4/c1-10(2)9-20-16(19)15-13(18)8-12(17)14(15)11-6-4-3-5-7-11/h3-7,10,12,17H,8-9H2,1-2H3