[(1R,2S)-2-phenylcyclohexyl] 4-(5-fluoranyl-2-methoxy-phenyl)-4-methyl-2-oxidanylidene-pentanoate

Systemtic Name: [(1R,2S)-2-phenylcyclohexyl] 4-(5-fluoranyl-2-methoxy-phenyl)-4-methyl-2-oxidanylidene-pentanoate Openeye Name: [(1R,2S)-2-phenylcyclohexyl] 4-(5-fluoro-2-methoxy-phenyl)-4-methyl-2-oxo-pentanoate CAS Name: 4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-oxopentanoic acid [(1R,2S)-2-phenylcyclohexyl] ester IUPAC Name: [(1R,2S)-2-phenylcyclohexyl] 4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-oxopentanoate Traditional Name: 4-(5-fluoro-2-methoxy-phenyl)-2-keto-4-methyl-valeric acid [(1R,2S)-2-phenylcyclohexyl] ester Formula: C25H29FO4 MolecularWeight: 412.493763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)C(=O)OC1CCCCC1C2=CC=CC=C2)C3=C(C=CC(=C3)F)OC

Isomeric SMILES

CC(C)(CC(=O)C(=O)O[C@@H]1CCCC[C@H]1C2=CC=CC=C2)C3=C(C=CC(=C3)F)OC

InChI

InChI=1S/C25H29FO4/c1-25(2,20-15-18(26)13-14-23(20)29-3)16-21(27)24(28)30-22-12-8-7-11-19(22)17-9-5-4-6-10-17/h4-6,9-10,13-15,19,22H,7-8,11-12,16H2,1-3H3/t19-,22+/m0/s1