1-[1,3-benzodioxol-5-yl-[4-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[1,3-benzodioxol-5-yl-[4-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl-[4-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl-[4-(trifluoromethyl)phenyl]methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl-[4-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl-[4-(trifluoromethyl)phenyl]methyl]pipecolinic acid Formula: C21H20F3NO4 MolecularWeight: 407.38301

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=CC=C(C=C2)C(F)(F)F)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC=C(C=C2)C(F)(F)F)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H20F3NO4/c22-21(23,24)15-7-4-13(5-8-15)19(25-10-2-1-3-16(25)20(26)27)14-6-9-17-18(11-14)29-12-28-17/h4-9,11,16,19H,1-3,10,12H2,(H,26,27)