(E)-7-[2-[4,4-bis(fluoranyl)-3-oxidanyl-4-phenyl-butyl]-6-oxidanylidene-piperidin-1-yl]hept-5-enoic acid

Systemtic Name: (E)-7-[2-[4,4-bis(fluoranyl)-3-oxidanyl-4-phenyl-butyl]-6-oxidanylidene-piperidin-1-yl]hept-5-enoic acid Openeye Name: (E)-7-[2-(4,4-difluoro-3-hydroxy-4-phenyl-butyl)-6-oxo-1-piperidyl]hept-5-enoic acid CAS Name: (E)-7-[2-(4,4-difluoro-3-hydroxy-4-phenylbutyl)-6-oxo-1-piperidinyl]-5-heptenoic acid IUPAC Name: (E)-7-[2-(4,4-difluoro-3-hydroxy-4-phenylbutyl)-6-oxopiperidin-1-yl]hept-5-enoic acid Traditional Name: (E)-7-[2-(4,4-difluoro-3-hydroxy-4-phenyl-butyl)-6-keto-piperidino]hept-5-enoic acid Formula: C22H29F2NO4 MolecularWeight: 409.466766

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C(=O)C1)CC=CCCCC(=O)O)CCC(C(C2=CC=CC=C2)(F)F)O

Isomeric SMILES

C1CC(N(C(=O)C1)C/C=C/CCCC(=O)O)CCC(C(C2=CC=CC=C2)(F)F)O

InChI

InChI=1S/C22H29F2NO4/c23-22(24,17-9-4-3-5-10-17)19(26)15-14-18-11-8-12-20(27)25(18)16-7-2-1-6-13-21(28)29/h2-5,7,9-10,18-19,26H,1,6,8,11-16H2,(H,28,29)/b7-2+