pyridin-3-yl (E)-7-[(1R,2S)-2-octyl-5-oxidanylidene-cyclopentyl]hept-2-enoate

Systemtic Name: pyridin-3-yl (E)-7-[(1R,2S)-2-octyl-5-oxidanylidene-cyclopentyl]hept-2-enoate Openeye Name: 3-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 3-pyridinyl ester IUPAC Name: pyridin-3-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 3-pyridyl ester Formula: C25H37NO3 MolecularWeight: 399.56618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(=O)C1CCCCC=CC(=O)OC2=CN=CC=C2

Isomeric SMILES

CCCCCCCC[C@H]1CCC(=O)[C@@H]1CCCC/C=C/C(=O)OC2=CN=CC=C2

InChI

InChI=1S/C25H37NO3/c1-2-3-4-5-6-9-13-21-17-18-24(27)23(21)15-10-7-8-11-16-25(28)29-22-14-12-19-26-20-22/h11-12,14,16,19-21,23H,2-10,13,15,17-18H2,1H3/b16-11+/t21-,23+/m0/s1