pyridin-2-yl (E)-7-[(1R,2S)-2-octyl-5-oxidanylidene-cyclopentyl]hept-2-enoate

Systemtic Name: pyridin-2-yl (E)-7-[(1R,2S)-2-octyl-5-oxidanylidene-cyclopentyl]hept-2-enoate Openeye Name: 2-pyridyl (E)-7-[(1R,2S)-2-octyl-5-oxo-cyclopentyl]hept-2-enoate CAS Name: (E)-7-[(1R,2S)-2-octyl-5-oxocyclopentyl]-2-heptenoic acid 2-pyridinyl ester IUPAC Name: pyridin-2-yl (E)-7-[(1R,2S)-2-octyl-5-oxocyclopentyl]hept-2-enoate Traditional Name: (E)-7-[(1R,5S)-2-keto-5-octyl-cyclopentyl]hept-2-enoic acid 2-pyridyl ester Formula: C25H37NO3 MolecularWeight: 399.56618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(=O)C1CCCCC=CC(=O)OC2=CC=CC=N2

Isomeric SMILES

CCCCCCCC[C@H]1CCC(=O)[C@@H]1CCCC/C=C/C(=O)OC2=CC=CC=N2

InChI

InChI=1S/C25H37NO3/c1-2-3-4-5-6-9-14-21-18-19-23(27)22(21)15-10-7-8-11-17-25(28)29-24-16-12-13-20-26-24/h11-13,16-17,20-22H,2-10,14-15,18-19H2,1H3/b17-11+/t21-,22+/m0/s1