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

Systemtic Name: 1-[(3-ethoxy-4-phenylmethoxy-phenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-[3-(trifluoromethyl)phenyl]methyl]nipecotic 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)N3CCCC(C3)C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC(=CC=C2)C(F)(F)F)N3CCCC(C3)C(=O)O)OCC4=CC=CC=C4

InChI

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