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

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

Systemtic Name:1-[(3-ethoxy-4-methoxy-phenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid
Openeye Name:1-[(3-ethoxy-4-methoxy-phenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid
CAS Name:1-[(3-ethoxy-4-methoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]-3-piperidinecarboxylic acid
IUPAC Name:1-[(3-ethoxy-4-methoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid
Traditional Name:1-[(3-ethoxy-4-methoxy-phenyl)-[2-(trifluoromethyl)phenyl]methyl]nipecotic acid
Formula: C23H26F3NO4
MolecularWeight: 437.45205
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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=CC=CC=C2C(F)(F)F)N3CCCC(C3)C(=O)O)OC


Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC=CC=C2C(F)(F)F)N3CCCC(C3)C(=O)O)OC


InChI

InChI=1S/C23H26F3NO4/c1-3-31-20-13-15(10-11-19(20)30-2)21(27-12-6-7-16(14-27)22(28)29)17-8-4-5-9-18(17)23(24,25)26/h4-5,8-11,13,16,21H,3,6-7,12,14H2,1-2H3,(H,28,29)


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