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

Systemtic Name: 7-[2-oxidanylidene-6-[(E)-3-oxidanylideneoct-1-enyl]piperidin-1-yl]hept-5-ynoic acid Openeye Name: 7-[2-oxo-6-[(E)-3-oxooct-1-enyl]-1-piperidyl]hept-5-ynoic acid CAS Name: 7-[2-oxo-6-[(E)-3-oxooct-1-enyl]-1-piperidinyl]-5-heptynoic acid IUPAC Name: 7-[2-oxo-6-[(E)-3-oxooct-1-enyl]piperidin-1-yl]hept-5-ynoic acid Traditional Name: 7-[2-keto-6-[(E)-3-ketooct-1-enyl]piperidino]hept-5-ynoic acid Formula: C20H29NO4 MolecularWeight: 347.44856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCC(=O)/C=C/C1CCCC(=O)N1CC#CCCCC(=O)O

InChI

InChI=1S/C20H29NO4/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/h14-15,17H,2-4,6-7,9-13,16H2,1H3,(H,24,25)/b15-14+