(E)-7-[2-oxidanylidene-6-[(E)-3-oxidanyloct-1-enyl]piperidin-1-yl]hept-5-enoic acid

Systemtic Name: (E)-7-[2-oxidanylidene-6-[(E)-3-oxidanyloct-1-enyl]piperidin-1-yl]hept-5-enoic acid Openeye Name: (E)-7-[2-[(E)-3-hydroxyoct-1-enyl]-6-oxo-1-piperidyl]hept-5-enoic acid CAS Name: (E)-7-[2-[(E)-3-hydroxyoct-1-enyl]-6-oxo-1-piperidinyl]-5-heptenoic acid IUPAC Name: (E)-7-[2-[(E)-3-hydroxyoct-1-enyl]-6-oxopiperidin-1-yl]hept-5-enoic acid Traditional Name: (E)-7-[2-[(E)-3-hydroxyoct-1-enyl]-6-keto-piperidino]hept-5-enoic acid Formula: C20H33NO4 MolecularWeight: 351.48032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC1CCCC(=O)N1CC=CCCCC(=O)O)O

Isomeric SMILES

CCCCCC(/C=C/C1CCCC(=O)N1C/C=C/CCCC(=O)O)O

InChI

InChI=1S/C20H33NO4/c1-2-3-6-11-18(22)15-14-17-10-9-12-19(23)21(17)16-8-5-4-7-13-20(24)25/h5,8,14-15,17-18,22H,2-4,6-7,9-13,16H2,1H3,(H,24,25)/b8-5+,15-14+