3-[[4-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methylsulfanyl]phenyl]methylamino]propanoic acid

Systemtic Name: 3-[[4-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methylsulfanyl]phenyl]methylamino]propanoic acid Openeye Name: 3-[[4-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methylsulfanyl]phenyl]methylamino]propanoic acid CAS Name: 3-[[4-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methylthio]phenyl]methylamino]propanoic acid IUPAC Name: 3-[[4-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methylsulfanyl]phenyl]methylamino]propanoic acid Traditional Name: 3-[[4-[[4-cyclohexyl-3-(trifluoromethyl)benzyl]thio]benzyl]amino]propionic acid Formula: C24H28F3NO2S MolecularWeight: 451.54483

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(C=C(C=C2)CSC3=CC=C(C=C3)CNCCC(=O)O)C(F)(F)F

Isomeric SMILES

C1CCC(CC1)C2=C(C=C(C=C2)CSC3=CC=C(C=C3)CNCCC(=O)O)C(F)(F)F

InChI

InChI=1S/C24H28F3NO2S/c25-24(26,27)22-14-18(8-11-21(22)19-4-2-1-3-5-19)16-31-20-9-6-17(7-10-20)15-28-13-12-23(29)30/h6-11,14,19,28H,1-5,12-13,15-16H2,(H,29,30)