1-(butylcarbamoyl)-6-(4-fluoranyl-3-methyl-phenyl)piperidine-3-carboxylic acid

Systemtic Name: 1-(butylcarbamoyl)-6-(4-fluoranyl-3-methyl-phenyl)piperidine-3-carboxylic acid Openeye Name: 1-(butylcarbamoyl)-6-(4-fluoro-3-methyl-phenyl)piperidine-3-carboxylic acid CAS Name: 1-[butylamino(oxo)methyl]-6-(4-fluoro-3-methylphenyl)-3-piperidinecarboxylic acid IUPAC Name: 1-(butylcarbamoyl)-6-(4-fluoro-3-methylphenyl)piperidine-3-carboxylic acid Traditional Name: 1-(butylcarbamoyl)-6-(4-fluoro-3-methyl-phenyl)nipecotic acid Formula: C18H25FN2O3 MolecularWeight: 336.401103

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1CC(CCC1C2=CC(=C(C=C2)F)C)C(=O)O

Isomeric SMILES

CCCCNC(=O)N1CC(CCC1C2=CC(=C(C=C2)F)C)C(=O)O

InChI

InChI=1S/C18H25FN2O3/c1-3-4-9-20-18(24)21-11-14(17(22)23)6-8-16(21)13-5-7-15(19)12(2)10-13/h5,7,10,14,16H,3-4,6,8-9,11H2,1-2H3,(H,20,24)(H,22,23)