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1-[(2-phenylmethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid

1-[(2-phenylmethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid

Systemtic Name:1-[(2-phenylmethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid
Openeye Name:1-[(2-benzyloxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid
CAS Name:1-[(2-phenylmethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-3-piperidinecarboxylic acid
IUPAC Name:1-[(2-phenylmethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid
Traditional Name:1-[(2-benzoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]nipecotic acid
Formula: C27H26F3NO3
MolecularWeight: 469.49545
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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC(=CC=C2)C(F)(F)F)C3=CC=CC=C3OCC4=CC=CC=C4)C(=O)O


Isomeric SMILES

C1CC(CN(C1)C(C2=CC(=CC=C2)C(F)(F)F)C3=CC=CC=C3OCC4=CC=CC=C4)C(=O)O


InChI

InChI=1S/C27H26F3NO3/c28-27(29,30)22-12-6-10-20(16-22)25(31-15-7-11-21(17-31)26(32)33)23-13-4-5-14-24(23)34-18-19-8-2-1-3-9-19/h1-6,8-10,12-14,16,21,25H,7,11,15,17-18H2,(H,32,33)


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