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

Systemtic Name: 1-[(3-ethoxy-4-phenylmethoxy-phenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-[3-(trifluoromethyl)phenyl]methyl]isonipecotic acid Formula: C29H30F3NO4 MolecularWeight: 513.54801

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=CC(=CC=C2)C(F)(F)F)N3CCC(CC3)C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC(=CC=C2)C(F)(F)F)N3CCC(CC3)C(=O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H30F3NO4/c1-2-36-26-18-23(11-12-25(26)37-19-20-7-4-3-5-8-20)27(33-15-13-21(14-16-33)28(34)35)22-9-6-10-24(17-22)29(30,31)32/h3-12,17-18,21,27H,2,13-16,19H2,1H3,(H,34,35)