1-[(4-ethoxy-3-methoxy-phenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(4-ethoxy-3-methoxy-phenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-ethoxy-3-methoxy-phenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-ethoxy-3-methoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-ethoxy-3-methoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-ethoxy-3-methoxy-phenyl)-[2-(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=CC=C2C(F)(F)F)N3CCCC(C3)C(=O)O)OC

Isomeric SMILES

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

InChI

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