3-(4-fluoranyl-2-methyl-phenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid

Systemtic Name: 3-(4-fluoranyl-2-methyl-phenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid Openeye Name: 1-tert-butoxycarbonyl-3-(4-fluoro-2-methyl-phenyl)piperidine-4-carboxylic acid CAS Name: 3-(4-fluoro-2-methylphenyl)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 3-(4-fluoro-2-methylphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid Traditional Name: 1-tert-butoxycarbonyl-3-(4-fluoro-2-methyl-phenyl)isonipecotic acid Formula: C18H24FNO4 MolecularWeight: 337.385863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)C2CN(CCC2C(=O)O)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)F)C2CN(CCC2C(=O)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H24FNO4/c1-11-9-12(19)5-6-13(11)15-10-20(8-7-14(15)16(21)22)17(23)24-18(2,3)4/h5-6,9,14-15H,7-8,10H2,1-4H3,(H,21,22)