bis(phenylmethyl) 2-[2-(3-fluorophenyl)cyclohex-2-en-1-yl]propanedioate

Systemtic Name: bis(phenylmethyl) 2-[2-(3-fluorophenyl)cyclohex-2-en-1-yl]propanedioate Openeye Name: dibenzyl 2-[2-(3-fluorophenyl)cyclohex-2-en-1-yl]propanedioate CAS Name: 2-[2-(3-fluorophenyl)-1-cyclohex-2-enyl]propanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2-[2-(3-fluorophenyl)cyclohex-2-en-1-yl]propanedioate Traditional Name: 2-[2-(3-fluorophenyl)cyclohex-2-en-1-yl]malonic acid dibenzyl ester Formula: C29H27FO4 MolecularWeight: 458.520683

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Descriptors Computed from Structure

Canonical SMILES:

C1CC=C(C(C1)C(C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C4=CC(=CC=C4)F

Isomeric SMILES

C1CC=C(C(C1)C(C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C4=CC(=CC=C4)F

InChI

InChI=1S/C29H27FO4/c30-24-15-9-14-23(18-24)25-16-7-8-17-26(25)27(28(31)33-19-21-10-3-1-4-11-21)29(32)34-20-22-12-5-2-6-13-22/h1-6,9-16,18,26-27H,7-8,17,19-20H2