7-[2-(4,4-dimethyl-3-oxidanyl-octyl)-5-oxidanylidene-cyclopent-3-en-1-yl]heptyl N-ethanoylcarbamate

Systemtic Name: 7-[2-(4,4-dimethyl-3-oxidanyl-octyl)-5-oxidanylidene-cyclopent-3-en-1-yl]heptyl N-ethanoylcarbamate Openeye Name: 7-[2-(3-hydroxy-4,4-dimethyl-octyl)-5-oxo-cyclopent-3-en-1-yl]heptyl N-acetylcarbamate CAS Name: N-acetylcarbamic acid 7-[2-(3-hydroxy-4,4-dimethyloctyl)-5-oxo-1-cyclopent-3-enyl]heptyl ester IUPAC Name: 7-[2-(3-hydroxy-4,4-dimethyloctyl)-5-oxocyclopent-3-en-1-yl]heptyl N-acetylcarbamate Traditional Name: N-acetylcarbamic acid 7-[2-(3-hydroxy-4,4-dimethyl-octyl)-5-keto-cyclopent-3-en-1-yl]heptyl ester Formula: C25H43NO5 MolecularWeight: 437.61262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)C(CCC1C=CC(=O)C1CCCCCCCOC(=O)NC(=O)C)O

Isomeric SMILES

CCCCC(C)(C)C(CCC1C=CC(=O)C1CCCCCCCOC(=O)NC(=O)C)O

InChI

InChI=1S/C25H43NO5/c1-5-6-17-25(3,4)23(29)16-14-20-13-15-22(28)21(20)12-10-8-7-9-11-18-31-24(30)26-19(2)27/h13,15,20-21,23,29H,5-12,14,16-18H2,1-4H3,(H,26,27,30)