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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26F3NO4/c1-3-31-19-11-8-16(13-20(19)30-2)21(27-12-4-5-17(14-27)22(28)29)15-6-9-18(10-7-15)23(24,25)26/h6-11,13,17,21H,3-5,12,14H2,1-2H3,(H,28,29)