methyl (E)-7-[(1R,2S)-2-(4-cyclopentyl-3-oxidanyl-butyl)-5-oxidanylidene-cyclopentyl]hept-2-enoate

Systemtic Name: methyl (E)-7-[(1R,2S)-2-(4-cyclopentyl-3-oxidanyl-butyl)-5-oxidanylidene-cyclopentyl]hept-2-enoate Openeye Name: methyl (E)-7-[(1R,2S)-2-(4-cyclopentyl-3-hydroxy-butyl)-5-oxo-cyclopentyl]hept-2-enoate CAS Name: (E)-7-[(1R,2S)-2-(4-cyclopentyl-3-hydroxybutyl)-5-oxocyclopentyl]-2-heptenoic acid methyl ester IUPAC Name: methyl (E)-7-[(1R,2S)-2-(4-cyclopentyl-3-hydroxybutyl)-5-oxocyclopentyl]hept-2-enoate Traditional Name: (E)-7-[(1R,2S)-2-(4-cyclopentyl-3-hydroxy-butyl)-5-keto-cyclopentyl]hept-2-enoic acid methyl ester Formula: C22H36O4 MolecularWeight: 364.51884

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CCCCCC1C(CCC1=O)CCC(CC2CCCC2)O

Isomeric SMILES

COC(=O)/C=C/CCCC[C@@H]1[C@H](CCC1=O)CCC(CC2CCCC2)O

InChI

InChI=1S/C22H36O4/c1-26-22(25)11-5-3-2-4-10-20-18(13-15-21(20)24)12-14-19(23)16-17-8-6-7-9-17/h5,11,17-20,23H,2-4,6-10,12-16H2,1H3/b11-5+/t18-,19?,20+/m0/s1