(5-methyl-2-propan-2-yl-cyclohexyl) 5-oxidanylidene-3-phenyl-oxolane-2-carboxylate

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 5-oxidanylidene-3-phenyl-oxolane-2-carboxylate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 5-oxo-3-phenyl-tetrahydrofuran-2-carboxylate CAS Name: 5-oxo-3-phenyl-2-oxolanecarboxylic acid (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 5-oxo-3-phenyloxolane-2-carboxylate Traditional Name: 5-keto-3-phenyl-tetrahydrofuran-2-carboxylic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C21H28O4 MolecularWeight: 344.44462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2C(CC(=O)O2)C3=CC=CC=C3)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)C2C(CC(=O)O2)C3=CC=CC=C3)C(C)C

InChI

InChI=1S/C21H28O4/c1-13(2)16-10-9-14(3)11-18(16)24-21(23)20-17(12-19(22)25-20)15-7-5-4-6-8-15/h4-8,13-14,16-18,20H,9-12H2,1-3H3