methyl 4-[2-[[2-oxidanylidene-1-[(E)-3-oxidanyl-2-phenyl-but-1-enyl]cyclopentyl]methyl]phenyl]butanoate

Systemtic Name: methyl 4-[2-[[2-oxidanylidene-1-[(E)-3-oxidanyl-2-phenyl-but-1-enyl]cyclopentyl]methyl]phenyl]butanoate Openeye Name: methyl 4-[2-[[1-[(E)-3-hydroxy-2-phenyl-but-1-enyl]-2-oxo-cyclopentyl]methyl]phenyl]butanoate CAS Name: 4-[2-[[1-[(E)-3-hydroxy-2-phenylbut-1-enyl]-2-oxocyclopentyl]methyl]phenyl]butanoic acid methyl ester IUPAC Name: methyl 4-[2-[[1-[(E)-3-hydroxy-2-phenylbut-1-enyl]-2-oxocyclopentyl]methyl]phenyl]butanoate Traditional Name: 4-[2-[[1-[(E)-3-hydroxy-2-phenyl-but-1-enyl]-2-keto-cyclopentyl]methyl]phenyl]butyric acid methyl ester Formula: C27H32O4 MolecularWeight: 420.54058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=CC1(CCCC1=O)CC2=CC=CC=C2CCCC(=O)OC)C3=CC=CC=C3)O

Isomeric SMILES

CC(/C(=C/C1(CCCC1=O)CC2=CC=CC=C2CCCC(=O)OC)/C3=CC=CC=C3)O

InChI

InChI=1S/C27H32O4/c1-20(28)24(22-11-4-3-5-12-22)19-27(17-9-15-25(27)29)18-23-13-7-6-10-21(23)14-8-16-26(30)31-2/h3-7,10-13,19-20,28H,8-9,14-18H2,1-2H3/b24-19-