1-[(3-ethoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3-ethoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-ethoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-ethoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-ethoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[m-phenetyl-[4-(trifluoromethyl)phenyl]methyl]isonipecotic acid Formula: C22H24F3NO3 MolecularWeight: 407.42607

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(C2=CC=C(C=C2)C(F)(F)F)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCOC1=CC=CC(=C1)C(C2=CC=C(C=C2)C(F)(F)F)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C22H24F3NO3/c1-2-29-19-5-3-4-17(14-19)20(26-12-10-16(11-13-26)21(27)28)15-6-8-18(9-7-15)22(23,24)25/h3-9,14,16,20H,2,10-13H2,1H3,(H,27,28)