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

Systemtic Name: 1-[(3-ethoxy-4-methoxy-phenyl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-ethoxy-4-methoxy-phenyl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-ethoxy-4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-ethoxy-4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-ethoxy-4-methoxy-phenyl)-[4-(trifluoromethyl)phenyl]methyl]isonipecotic acid Formula: C23H26F3NO4 MolecularWeight: 437.45205

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26F3NO4/c1-3-31-20-14-17(6-9-19(20)30-2)21(27-12-10-16(11-13-27)22(28)29)15-4-7-18(8-5-15)23(24,25)26/h4-9,14,16,21H,3,10-13H2,1-2H3,(H,28,29)