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

Systemtic Name: methyl (E)-7-[2-oxidanylidene-6-[(E)-3-oxidanyloct-1-enyl]piperidin-1-yl]hept-5-enoate Openeye Name: methyl (E)-7-[2-[(E)-3-hydroxyoct-1-enyl]-6-oxo-1-piperidyl]hept-5-enoate CAS Name: (E)-7-[2-[(E)-3-hydroxyoct-1-enyl]-6-oxo-1-piperidinyl]-5-heptenoic acid methyl ester IUPAC Name: methyl (E)-7-[2-[(E)-3-hydroxyoct-1-enyl]-6-oxopiperidin-1-yl]hept-5-enoate Traditional Name: (E)-7-[2-[(E)-3-hydroxyoct-1-enyl]-6-keto-piperidino]hept-5-enoic acid methyl ester Formula: C21H35NO4 MolecularWeight: 365.5069

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35NO4/c1-3-4-7-12-19(23)16-15-18-11-10-13-20(24)22(18)17-9-6-5-8-14-21(25)26-2/h6,9,15-16,18-19,23H,3-5,7-8,10-14,17H2,1-2H3/b9-6+,16-15+