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

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24F3NO3/c1-2-29-19-11-7-16(8-12-19)20(26-13-3-4-17(14-26)21(27)28)15-5-9-18(10-6-15)22(23,24)25/h5-12,17,20H,2-4,13-14H2,1H3,(H,27,28)