1-[(3,4-diethoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3,4-diethoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3,4-diethoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3,4-diethoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-diethoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3,4-diethoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]isonipecotic acid Formula: C24H28F3NO4 MolecularWeight: 451.47863

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C2=CC=C(C=C2)C(F)(F)F)N3CCC(CC3)C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=CC=C(C=C2)C(F)(F)F)N3CCC(CC3)C(=O)O)OCC

InChI

InChI=1S/C24H28F3NO4/c1-3-31-20-10-7-18(15-21(20)32-4-2)22(28-13-11-17(12-14-28)23(29)30)16-5-8-19(9-6-16)24(25,26)27/h5-10,15,17,22H,3-4,11-14H2,1-2H3,(H,29,30)