5-[3,5-bis(trifluoromethyl)phenyl]carbonyloxy-4-(4-fluorophenyl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylic acid

Systemtic Name: 5-[3,5-bis(trifluoromethyl)phenyl]carbonyloxy-4-(4-fluorophenyl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylic acid Openeye Name: 5-[3,5-bis(trifluoromethyl)benzoyl]oxy-4-(4-fluorophenyl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylic acid CAS Name: 5-[[3,5-bis(trifluoromethyl)phenyl]-oxomethoxy]-4-(4-fluorophenyl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylic acid IUPAC Name: 5-[3,5-bis(trifluoromethyl)benzoyl]oxy-4-(4-fluorophenyl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylic acid Traditional Name: 5-[3,5-bis(trifluoromethyl)benzoyl]oxy-4-(4-fluorophenyl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylic acid Formula: C24H20F7NO4 MolecularWeight: 519.408722

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C2C1CN(C2)C(=O)O)C3=CC=C(C=C3)F)OC(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1CC(C(C2C1CN(C2)C(=O)O)C3=CC=C(C=C3)F)OC(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C24H20F7NO4/c25-17-4-1-12(2-5-17)20-18-11-32(22(34)35)10-13(18)3-6-19(20)36-21(33)14-7-15(23(26,27)28)9-16(8-14)24(29,30)31/h1-2,4-5,7-9,13,18-20H,3,6,10-11H2,(H,34,35)