(E)-2-oxidanylidene-3-(piperidin-1-ylmethyl)pentadec-9-enoic acid

Systemtic Name: (E)-2-oxidanylidene-3-(piperidin-1-ylmethyl)pentadec-9-enoic acid Openeye Name: (E)-2-oxo-3-(1-piperidylmethyl)pentadec-9-enoic acid CAS Name: (E)-2-oxo-3-(1-piperidinylmethyl)-9-pentadecenoic acid IUPAC Name: (E)-2-oxo-3-(piperidin-1-ylmethyl)pentadec-9-enoic acid Traditional Name: (E)-2-keto-3-(piperidinomethyl)pentadec-9-enoic acid Formula: C21H37NO3 MolecularWeight: 351.52338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCCCCCC(CN1CCCCC1)C(=O)C(=O)O

Isomeric SMILES

CCCCC/C=C/CCCCCC(CN1CCCCC1)C(=O)C(=O)O

InChI

InChI=1S/C21H37NO3/c1-2-3-4-5-6-7-8-9-10-12-15-19(20(23)21(24)25)18-22-16-13-11-14-17-22/h6-7,19H,2-5,8-18H2,1H3,(H,24,25)/b7-6+