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

Systemtic Name: 2-[(2S)-2-methyl-4-[(R)-thiophen-2-yl-[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[(2S)-2-methyl-4-[(R)-2-thienyl-[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetic acid CAS Name: 2-[(2S)-2-methyl-4-[(R)-thiophen-2-yl-[3-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[(2S)-2-methyl-4-[(R)-thiophen-2-yl-[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetic acid Traditional Name: 2-[(2S)-2-methyl-4-[(R)-2-thienyl-[3-(trifluoromethyl)phenyl]methyl]piperazino]acetic acid Formula: C19H21F3N2O2S MolecularWeight: 398.44245

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1CC(=O)O)C(C2=CC(=CC=C2)C(F)(F)F)C3=CC=CS3

Isomeric SMILES

C[C@H]1CN(CCN1CC(=O)O)[C@H](C2=CC(=CC=C2)C(F)(F)F)C3=CC=CS3

InChI

InChI=1S/C19H21F3N2O2S/c1-13-11-24(8-7-23(13)12-17(25)26)18(16-6-3-9-27-16)14-4-2-5-15(10-14)19(20,21)22/h2-6,9-10,13,18H,7-8,11-12H2,1H3,(H,25,26)/t13-,18+/m0/s1