[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 3-oxidanylidene-2-(trifluoromethyl)-1H-indene-2-carboxylate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 3-oxidanylidene-2-(trifluoromethyl)-1H-indene-2-carboxylate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 1-oxo-2-(trifluoromethyl)indane-2-carboxylate CAS Name: 3-oxo-2-(trifluoromethyl)-1H-indene-2-carboxylic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 3-oxo-2-(trifluoromethyl)-1H-indene-2-carboxylate Traditional Name: 1-keto-2-(trifluoromethyl)indane-2-carboxylic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C21H25F3O3 MolecularWeight: 382.41661

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2(CC3=CC=CC=C3C2=O)C(F)(F)F)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C2(CC3=CC=CC=C3C2=O)C(F)(F)F)C(C)C

InChI

InChI=1S/C21H25F3O3/c1-12(2)15-9-8-13(3)10-17(15)27-19(26)20(21(22,23)24)11-14-6-4-5-7-16(14)18(20)25/h4-7,12-13,15,17H,8-11H2,1-3H3/t13-,15+,17-,20?/m1/s1