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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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