1-[2-chloranyl-6-fluoranyl-4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-chloranyl-6-fluoranyl-4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]piperidine-4-carboxylic acid Openeye Name: 1-(4-tert-butoxycarbonyl-2-chloro-6-fluoro-phenyl)piperidine-4-carboxylic acid CAS Name: 1-[2-chloro-6-fluoro-4-[(2-methylpropan-2-yl)oxy-oxomethyl]phenyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-chloro-6-fluoro-4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]piperidine-4-carboxylic acid Traditional Name: 1-(4-tert-butoxycarbonyl-2-chloro-6-fluoro-phenyl)isonipecotic acid Formula: C17H21ClFNO4 MolecularWeight: 357.804343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(=C(C(=C1)Cl)N2CCC(CC2)C(=O)O)F

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=C(C(=C1)Cl)N2CCC(CC2)C(=O)O)F

InChI

InChI=1S/C17H21ClFNO4/c1-17(2,3)24-16(23)11-8-12(18)14(13(19)9-11)20-6-4-10(5-7-20)15(21)22/h8-10H,4-7H2,1-3H3,(H,21,22)