[(1S)-3-(4-fluoranyl-3-methyl-phenyl)-5,5-dimethyl-4-[(E)-2-[(2S,4R)-4-oxidanyl-6-oxidanylidene-oxan-2-yl]ethenyl]cyclohex-3-en-1-yl] N-ethylcarbamate

Systemtic Name: [(1S)-3-(4-fluoranyl-3-methyl-phenyl)-5,5-dimethyl-4-[(E)-2-[(2S,4R)-4-oxidanyl-6-oxidanylidene-oxan-2-yl]ethenyl]cyclohex-3-en-1-yl] N-ethylcarbamate Openeye Name: [(1S)-3-(4-fluoro-3-methyl-phenyl)-4-[(E)-2-[(2S,4R)-4-hydroxy-6-oxo-tetrahydropyran-2-yl]vinyl]-5,5-dimethyl-cyclohex-3-en-1-yl] N-ethylcarbamate CAS Name: N-ethylcarbamic acid [(1S)-3-(4-fluoro-3-methylphenyl)-4-[(E)-2-[(2S,4R)-4-hydroxy-6-oxo-2-oxanyl]ethenyl]-5,5-dimethyl-1-cyclohex-3-enyl] ester IUPAC Name: [(1S)-3-(4-fluoro-3-methylphenyl)-4-[(E)-2-[(2S,4R)-4-hydroxy-6-oxooxan-2-yl]ethenyl]-5,5-dimethylcyclohex-3-en-1-yl] N-ethylcarbamate Traditional Name: N-ethylcarbamic acid [(1S)-3-(4-fluoro-3-methyl-phenyl)-4-[(E)-2-[(2S,4R)-4-hydroxy-6-keto-tetrahydropyran-2-yl]vinyl]-5,5-dimethyl-cyclohex-3-en-1-yl] ester Formula: C25H32FNO5 MolecularWeight: 445.523683

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)OC1CC(=C(C(C1)(C)C)C=CC2CC(CC(=O)O2)O)C3=CC(=C(C=C3)F)C

Isomeric SMILES

CCNC(=O)O[C@@H]1CC(=C(C(C1)(C)C)/C=C/[C@@H]2C[C@H](CC(=O)O2)O)C3=CC(=C(C=C3)F)C

InChI

InChI=1S/C25H32FNO5/c1-5-27-24(30)32-19-13-20(16-6-9-22(26)15(2)10-16)21(25(3,4)14-19)8-7-18-11-17(28)12-23(29)31-18/h6-10,17-19,28H,5,11-14H2,1-4H3,(H,27,30)/b8-7+/t17-,18-,19-/m1/s1