dimethyl 2-(4-oxidanylidene-3-phenethyl-cyclopent-2-en-1-yl)propanedioate

Systemtic Name: dimethyl 2-(4-oxidanylidene-3-phenethyl-cyclopent-2-en-1-yl)propanedioate Openeye Name: dimethyl 2-(4-oxo-3-phenethyl-cyclopent-2-en-1-yl)propanedioate CAS Name: 2-(4-oxo-3-phenethyl-1-cyclopent-2-enyl)propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(4-oxo-3-phenethylcyclopent-2-en-1-yl)propanedioate Traditional Name: 2-(4-keto-3-phenethyl-cyclopent-2-en-1-yl)malonic acid dimethyl ester Formula: C18H20O5 MolecularWeight: 316.3484

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1CC(=O)C(=C1)CCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COC(=O)C(C1CC(=O)C(=C1)CCC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C18H20O5/c1-22-17(20)16(18(21)23-2)14-10-13(15(19)11-14)9-8-12-6-4-3-5-7-12/h3-7,10,14,16H,8-9,11H2,1-2H3