7-[2-[(E)-4,4-bis(fluoranyl)-4-(3-methoxyphenyl)-3-oxidanyl-but-1-enyl]-6-oxidanylidene-piperidin-1-yl]heptanoic acid

Systemtic Name: 7-[2-[(E)-4,4-bis(fluoranyl)-4-(3-methoxyphenyl)-3-oxidanyl-but-1-enyl]-6-oxidanylidene-piperidin-1-yl]heptanoic acid Openeye Name: 7-[2-[(E)-4,4-difluoro-3-hydroxy-4-(3-methoxyphenyl)but-1-enyl]-6-oxo-1-piperidyl]heptanoic acid CAS Name: 7-[2-[(E)-4,4-difluoro-3-hydroxy-4-(3-methoxyphenyl)but-1-enyl]-6-oxo-1-piperidinyl]heptanoic acid IUPAC Name: 7-[2-[(E)-4,4-difluoro-3-hydroxy-4-(3-methoxyphenyl)but-1-enyl]-6-oxopiperidin-1-yl]heptanoic acid Traditional Name: 7-[2-[(E)-4,4-difluoro-3-hydroxy-4-(3-methoxyphenyl)but-1-enyl]-6-keto-piperidino]enanthic acid Formula: C23H31F2NO5 MolecularWeight: 439.492746

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(C(C=CC2CCCC(=O)N2CCCCCCC(=O)O)O)(F)F

Isomeric SMILES

COC1=CC=CC(=C1)C(C(/C=C/C2CCCC(=O)N2CCCCCCC(=O)O)O)(F)F

InChI

InChI=1S/C23H31F2NO5/c1-31-19-10-6-8-17(16-19)23(24,25)20(27)14-13-18-9-7-11-21(28)26(18)15-5-3-2-4-12-22(29)30/h6,8,10,13-14,16,18,20,27H,2-5,7,9,11-12,15H2,1H3,(H,29,30)/b14-13+