(2R)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanoic acid

Systemtic Name: (2R)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanoic acid Openeye Name: (2R)-2-(4-tert-butoxycarbonylpiperazin-1-yl)-2-[2-(trifluoromethyl)phenyl]acetic acid CAS Name: (2R)-2-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]-2-[2-(trifluoromethyl)phenyl]acetic acid IUPAC Name: (2R)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-[2-(trifluoromethyl)phenyl]acetic acid Traditional Name: (2R)-2-(4-tert-butoxycarbonylpiperazino)-2-[2-(trifluoromethyl)phenyl]acetic acid Formula: C18H23F3N2O4 MolecularWeight: 388.38143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(C2=CC=CC=C2C(F)(F)F)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)[C@H](C2=CC=CC=C2C(F)(F)F)C(=O)O

InChI

InChI=1S/C18H23F3N2O4/c1-17(2,3)27-16(26)23-10-8-22(9-11-23)14(15(24)25)12-6-4-5-7-13(12)18(19,20)21/h4-7,14H,8-11H2,1-3H3,(H,24,25)/t14-/m1/s1