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

Systemtic Name: 1-[(3-methoxy-4-phenylmethoxy-phenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-methoxy-phenyl)-[3-(trifluoromethyl)phenyl]methyl]pipecolinic 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)N3CCCCC3C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(C2=CC(=CC=C2)C(F)(F)F)N3CCCCC3C(=O)O)OCC4=CC=CC=C4

InChI

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