2-[4-[(R)-cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-2-methyl-piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[(R)-cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-2-methyl-piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[(R)-cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-2-methyl-piperazin-1-yl]acetic acid CAS Name: 2-[4-[(R)-cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-2-methyl-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[(R)-cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-2-methylpiperazin-1-yl]acetic acid Traditional Name: 2-[4-[(R)-cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-2-methyl-piperazino]acetic acid Formula: C18H23F3N2O2 MolecularWeight: 356.38263

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1CC(=O)O)C(C2CC2)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CC1CN(CCN1CC(=O)O)[C@H](C2CC2)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C18H23F3N2O2/c1-12-10-23(8-7-22(12)11-16(24)25)17(13-5-6-13)14-3-2-4-15(9-14)18(19,20)21/h2-4,9,12-13,17H,5-8,10-11H2,1H3,(H,24,25)/t12?,17-/m1/s1