2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenyl-piperidine-1-carboxylic acid

Systemtic Name: 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenyl-piperidine-1-carboxylic acid Openeye Name: 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenyl-piperidine-1-carboxylic acid CAS Name: 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenyl-1-piperidinecarboxylic acid IUPAC Name: 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylpiperidine-1-carboxylic acid Traditional Name: 2-[3,5-bis(trifluoromethyl)benzyl]oxy-3-phenyl-piperidine-1-carboxylic acid Formula: C21H19F6NO3 MolecularWeight: 447.370879

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(N(C1)C(=O)O)OCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

C1CC(C(N(C1)C(=O)O)OCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C21H19F6NO3/c22-20(23,24)15-9-13(10-16(11-15)21(25,26)27)12-31-18-17(14-5-2-1-3-6-14)7-4-8-28(18)19(29)30/h1-3,5-6,9-11,17-18H,4,7-8,12H2,(H,29,30)