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

Systemtic Name: 2-[2-methyl-4-[(S)-phenyl-[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[2-methyl-4-[(S)-phenyl-[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetic acid CAS Name: 2-[2-methyl-4-[(S)-phenyl-[3-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[2-methyl-4-[(S)-phenyl-[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetic acid Traditional Name: 2-[2-methyl-4-[(S)-phenyl-[3-(trifluoromethyl)phenyl]methyl]piperazino]acetic acid Formula: C21H23F3N2O2 MolecularWeight: 392.41473

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1CN(CCN1CC(=O)O)[C@@H](C2=CC=CC=C2)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C21H23F3N2O2/c1-15-13-26(11-10-25(15)14-19(27)28)20(16-6-3-2-4-7-16)17-8-5-9-18(12-17)21(22,23)24/h2-9,12,15,20H,10-11,13-14H2,1H3,(H,27,28)/t15?,20-/m0/s1