methyl 3-[2-(3-octanoyl-4,5-dihydro-1H-pyrazol-4-yl)-3-oxidanyl-5-oxidanylidene-cyclopenten-1-yl]propanoate

Systemtic Name: methyl 3-[2-(3-octanoyl-4,5-dihydro-1H-pyrazol-4-yl)-3-oxidanyl-5-oxidanylidene-cyclopenten-1-yl]propanoate Openeye Name: methyl 3-[3-hydroxy-2-(3-octanoyl-4,5-dihydro-1H-pyrazol-4-yl)-5-oxo-cyclopenten-1-yl]propanoate CAS Name: 3-[3-hydroxy-5-oxo-2-[3-(1-oxooctyl)-4,5-dihydro-1H-pyrazol-4-yl]-1-cyclopentenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3-hydroxy-2-(3-octanoyl-4,5-dihydro-1H-pyrazol-4-yl)-5-oxocyclopenten-1-yl]propanoate Traditional Name: 3-[2-(3-caprylyl-2-pyrazolin-4-yl)-3-hydroxy-5-keto-cyclopenten-1-yl]propionic acid methyl ester Formula: C20H30N2O5 MolecularWeight: 378.4626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)C1=NNCC1C2=C(C(=O)CC2O)CCC(=O)OC

Isomeric SMILES

CCCCCCCC(=O)C1=NNCC1C2=C(C(=O)CC2O)CCC(=O)OC

InChI

InChI=1S/C20H30N2O5/c1-3-4-5-6-7-8-15(23)20-14(12-21-22-20)19-13(9-10-18(26)27-2)16(24)11-17(19)25/h14,17,21,25H,3-12H2,1-2H3