[(E)-6-(3-methoxyphenyl)-1-(5-oxidanylidenecyclopenten-1-yl)hex-3-en-2-yl] benzoate

Systemtic Name: [(E)-6-(3-methoxyphenyl)-1-(5-oxidanylidenecyclopenten-1-yl)hex-3-en-2-yl] benzoate Openeye Name: [(E)-5-(3-methoxyphenyl)-1-[(5-oxocyclopenten-1-yl)methyl]pent-2-enyl] benzoate CAS Name: benzoic acid [(E)-6-(3-methoxyphenyl)-1-(5-oxo-1-cyclopentenyl)hex-3-en-2-yl] ester IUPAC Name: [(E)-6-(3-methoxyphenyl)-1-(5-oxocyclopenten-1-yl)hex-3-en-2-yl] benzoate Traditional Name: benzoic acid [(E)-1-[(5-ketocyclopenten-1-yl)methyl]-5-(3-methoxyphenyl)pent-2-enyl] ester Formula: C25H26O4 MolecularWeight: 390.47154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CCC=CC(CC2=CCCC2=O)OC(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)CC/C=C/C(CC2=CCCC2=O)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H26O4/c1-28-22-15-7-10-19(17-22)9-5-6-14-23(18-21-13-8-16-24(21)26)29-25(27)20-11-3-2-4-12-20/h2-4,6-7,10-15,17,23H,5,8-9,16,18H2,1H3/b14-6+