1-butoxycarbonyl-3-(4-fluorophenyl)piperidine-4-carboxylic acid

Systemtic Name: 1-butoxycarbonyl-3-(4-fluorophenyl)piperidine-4-carboxylic acid Openeye Name: 1-butoxycarbonyl-3-(4-fluorophenyl)piperidine-4-carboxylic acid CAS Name: 1-[butoxy(oxo)methyl]-3-(4-fluorophenyl)-4-piperidinecarboxylic acid IUPAC Name: 1-butoxycarbonyl-3-(4-fluorophenyl)piperidine-4-carboxylic acid Traditional Name: 1-butoxycarbonyl-3-(4-fluorophenyl)isonipecotic acid Formula: C17H22FNO4 MolecularWeight: 323.359283

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)N1CCC(C(C1)C2=CC=C(C=C2)F)C(=O)O

Isomeric SMILES

CCCCOC(=O)N1CCC(C(C1)C2=CC=C(C=C2)F)C(=O)O

InChI

InChI=1S/C17H22FNO4/c1-2-3-10-23-17(22)19-9-8-14(16(20)21)15(11-19)12-4-6-13(18)7-5-12/h4-7,14-15H,2-3,8-11H2,1H3,(H,20,21)