1-[(3-ethoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3-ethoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-ethoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-ethoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-ethoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Traditional Name: 1-[m-phenetyl-[2-(trifluoromethyl)phenyl]methyl]nipecotic acid Formula: C22H24F3NO3 MolecularWeight: 407.42607

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(C2=CC=CC=C2C(F)(F)F)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCOC1=CC=CC(=C1)C(C2=CC=CC=C2C(F)(F)F)N3CCCC(C3)C(=O)O

InChI

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