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

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(4-fluorophenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl-(4-fluorophenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl-(4-fluorophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl-(4-fluorophenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl-(4-fluorophenyl)methyl]nipecotic acid Formula: C20H20FNO4 MolecularWeight: 357.375503

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC=C(C=C2)F)C3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=C(C=C2)F)C3=CC4=C(C=C3)OCO4)C(=O)O

InChI

InChI=1S/C20H20FNO4/c21-16-6-3-13(4-7-16)19(22-9-1-2-15(11-22)20(23)24)14-5-8-17-18(10-14)26-12-25-17/h3-8,10,15,19H,1-2,9,11-12H2,(H,23,24)