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

Systemtic Name: 1-[(3-methoxy-4-phenylmethoxy-phenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-methoxy-phenyl)-[3-(trifluoromethyl)phenyl]methyl]nipecotic acid Formula: C28H28F3NO4 MolecularWeight: 499.52143

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C2=CC(=CC=C2)C(F)(F)F)N3CCCC(C3)C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

COC1=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/C28H28F3NO4/c1-35-25-16-21(12-13-24(25)36-18-19-7-3-2-4-8-19)26(32-14-6-10-22(17-32)27(33)34)20-9-5-11-23(15-20)28(29,30)31/h2-5,7-9,11-13,15-16,22,26H,6,10,14,17-18H2,1H3,(H,33,34)