(2R,4S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]octanoic acid

Systemtic Name: (2R,4S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]octanoic acid Openeye Name: (2R,4S)-4-tert-butoxycarbonyl-2-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]octanoic acid CAS Name: (2R,4S)-4-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]octanoic acid IUPAC Name: (2R,4S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]octanoic acid Traditional Name: (2R,4S)-4-tert-butoxycarbonyl-2-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]caprylic acid Formula: C28H35F3O4 MolecularWeight: 492.57031

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC(CCC1=CC=C(C=C1)C2=CC=C(C=C2)C(F)(F)F)C(=O)O)C(=O)OC(C)(C)C

Isomeric SMILES

CCCC[C@@H](C[C@@H](CCC1=CC=C(C=C1)C2=CC=C(C=C2)C(F)(F)F)C(=O)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C28H35F3O4/c1-5-6-7-23(26(34)35-27(2,3)4)18-22(25(32)33)13-10-19-8-11-20(12-9-19)21-14-16-24(17-15-21)28(29,30)31/h8-9,11-12,14-17,22-23H,5-7,10,13,18H2,1-4H3,(H,32,33)/t22-,23+/m1/s1