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

Systemtic Name: 1-[(4-ethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-ethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-ethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-ethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Traditional Name: 1-[p-phenetyl-[3-(trifluoromethyl)phenyl]methyl]nipecotic 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=C2)C(F)(F)F)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)C(C2=CC(=CC=C2)C(F)(F)F)N3CCCC(C3)C(=O)O

InChI

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