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

Systemtic Name: 7-[2-[(E)-4,4-bis(fluoranyl)-3-oxidanyl-4-phenyl-but-1-enyl]-6-oxidanylidene-piperidin-1-yl]heptanoate Openeye Name: 7-[2-[(E)-4,4-difluoro-3-hydroxy-4-phenyl-but-1-enyl]-6-oxo-1-piperidyl]heptanoate CAS Name: 7-[2-[(E)-4,4-difluoro-3-hydroxy-4-phenylbut-1-enyl]-6-oxo-1-piperidinyl]heptanoate IUPAC Name: 7-[2-[(E)-4,4-difluoro-3-hydroxy-4-phenylbut-1-enyl]-6-oxopiperidin-1-yl]heptanoate Traditional Name: 7-[2-[(E)-4,4-difluoro-3-hydroxy-4-phenyl-but-1-enyl]-6-keto-piperidino]enanthate Formula: C22H28F2NO4- MolecularWeight: 408.458826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C(=O)C1)CCCCCCC(=O)[O-])C=CC(C(C2=CC=CC=C2)(F)F)O

Isomeric SMILES

C1CC(N(C(=O)C1)CCCCCCC(=O)[O-])/C=C/C(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/h3-5,9-10,14-15,18-19,26H,1-2,6-8,11-13,16H2,(H,28,29)/p-1/b15-14+