dimethyl 3-oxidanylidene-2-[(1S,4R)-4-(phenylcarbonyloxy)cyclohex-2-en-1-yl]pentanedioate

Systemtic Name: dimethyl 3-oxidanylidene-2-[(1S,4R)-4-(phenylcarbonyloxy)cyclohex-2-en-1-yl]pentanedioate Openeye Name: dimethyl 2-[(1S,4R)-4-benzoyloxycyclohex-2-en-1-yl]-3-oxo-pentanedioate CAS Name: 2-[(1S,4R)-4-benzoyloxy-1-cyclohex-2-enyl]-3-oxopentanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(1S,4R)-4-benzoyloxycyclohex-2-en-1-yl]-3-oxopentanedioate Traditional Name: 2-[(1S,4R)-4-benzoyloxycyclohex-2-en-1-yl]-3-keto-glutaric acid dimethyl ester Formula: C20H22O7 MolecularWeight: 374.38448

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=O)C(C1CCC(C=C1)OC(=O)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COC(=O)CC(=O)C([C@H]1CC[C@H](C=C1)OC(=O)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C20H22O7/c1-25-17(22)12-16(21)18(20(24)26-2)13-8-10-15(11-9-13)27-19(23)14-6-4-3-5-7-14/h3-8,10,13,15,18H,9,11-12H2,1-2H3/t13-,15+,18?/m1/s1