3-[4-[4-[[4-phenyl-3-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]piperidin-1-yl]propanoic acid

Systemtic Name: 3-[4-[4-[[4-phenyl-3-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]piperidin-1-yl]propanoic acid Openeye Name: 3-[4-[4-[[4-phenyl-3-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]-1-piperidyl]propanoic acid CAS Name: 3-[4-[4-[[[4-phenyl-3-(trifluoromethyl)phenyl]thio]methyl]phenyl]-1-piperidinyl]propanoic acid IUPAC Name: 3-[4-[4-[[4-phenyl-3-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]piperidin-1-yl]propanoic acid Traditional Name: 3-[4-[4-[[[4-phenyl-3-(trifluoromethyl)phenyl]thio]methyl]phenyl]piperidino]propionic acid Formula: C28H28F3NO2S MolecularWeight: 499.58763

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC=C(C=C2)CSC3=CC(=C(C=C3)C4=CC=CC=C4)C(F)(F)F)CCC(=O)O

Isomeric SMILES

C1CN(CCC1C2=CC=C(C=C2)CSC3=CC(=C(C=C3)C4=CC=CC=C4)C(F)(F)F)CCC(=O)O

InChI

InChI=1S/C28H28F3NO2S/c29-28(30,31)26-18-24(10-11-25(26)23-4-2-1-3-5-23)35-19-20-6-8-21(9-7-20)22-12-15-32(16-13-22)17-14-27(33)34/h1-11,18,22H,12-17,19H2,(H,33,34)