1-[3-(4-chlorophenyl)-3-(4-fluorophenyl)-3-oxidanyl-propyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[3-(4-chlorophenyl)-3-(4-fluorophenyl)-3-oxidanyl-propyl]piperidine-2-carboxylic acid Openeye Name: 1-[3-(4-chlorophenyl)-3-(4-fluorophenyl)-3-hydroxy-propyl]piperidine-2-carboxylic acid CAS Name: 1-[3-(4-chlorophenyl)-3-(4-fluorophenyl)-3-hydroxypropyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[3-(4-chlorophenyl)-3-(4-fluorophenyl)-3-hydroxypropyl]piperidine-2-carboxylic acid Traditional Name: 1-[3-(4-chlorophenyl)-3-(4-fluorophenyl)-3-hydroxy-propyl]pipecolinic acid Formula: C21H23ClFNO3 MolecularWeight: 391.863623

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)CCC(C2=CC=C(C=C2)F)(C3=CC=C(C=C3)Cl)O

Isomeric SMILES

C1CCN(C(C1)C(=O)O)CCC(C2=CC=C(C=C2)F)(C3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C21H23ClFNO3/c22-17-8-4-15(5-9-17)21(27,16-6-10-18(23)11-7-16)12-14-24-13-2-1-3-19(24)20(25)26/h4-11,19,27H,1-3,12-14H2,(H,25,26)