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

Systemtic Name: ethyl (E)-7-[(1R,5S)-3-cyano-5-octyl-2-oxidanylidene-cyclopentyl]hept-2-enoate Openeye Name: ethyl (E)-7-[(1R,5S)-3-cyano-5-octyl-2-oxo-cyclopentyl]hept-2-enoate CAS Name: (E)-7-[(1R,5S)-3-cyano-5-octyl-2-oxocyclopentyl]-2-heptenoic acid ethyl ester IUPAC Name: ethyl (E)-7-[(1R,5S)-3-cyano-5-octyl-2-oxocyclopentyl]hept-2-enoate Traditional Name: (E)-7-[(1R,5S)-3-cyano-2-keto-5-octyl-cyclopentyl]hept-2-enoic acid ethyl ester Formula: C23H37NO3 MolecularWeight: 375.54478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CC(C(=O)C1CCCCC=CC(=O)OCC)C#N

Isomeric SMILES

CCCCCCCC[C@H]1CC(C(=O)[C@@H]1CCCC/C=C/C(=O)OCC)C#N

InChI

InChI=1S/C23H37NO3/c1-3-5-6-7-8-11-14-19-17-20(18-24)23(26)21(19)15-12-9-10-13-16-22(25)27-4-2/h13,16,19-21H,3-12,14-15,17H2,1-2H3/b16-13+/t19-,20?,21+/m0/s1