1-[(4-ethoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(4-ethoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-ethoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-ethoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-ethoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[p-phenetyl-[2-(trifluoromethyl)phenyl]methyl]isonipecotic acid Formula: C22H24F3NO3 MolecularWeight: 407.42607

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C2=CC=CC=C2C(F)(F)F)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)C(C2=CC=CC=C2C(F)(F)F)N3CCC(CC3)C(=O)O

InChI

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