tert-butyl 4-[3-[6-(2,2-dimethylpropanoylamino)-2-fluoranyl-pyridin-3-yl]-3-oxidanyl-propyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[6-(2,2-dimethylpropanoylamino)-2-fluoranyl-pyridin-3-yl]-3-oxidanyl-propyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[3-[6-(2,2-dimethylpropanoylamino)-2-fluoro-3-pyridyl]-3-hydroxy-propyl]piperidine-1-carboxylate CAS Name: 4-[3-[6-[(2,2-dimethyl-1-oxopropyl)amino]-2-fluoro-3-pyridinyl]-3-hydroxypropyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[6-(2,2-dimethylpropanoylamino)-2-fluoropyridin-3-yl]-3-hydroxypropyl]piperidine-1-carboxylate Traditional Name: 4-[3-[2-fluoro-6-(pivaloylamino)-3-pyridyl]-3-hydroxy-propyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C23H36FN3O4 MolecularWeight: 437.548043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=NC(=C(C=C1)C(CCC2CCN(CC2)C(=O)OC(C)(C)C)O)F

Isomeric SMILES

CC(C)(C)C(=O)NC1=NC(=C(C=C1)C(CCC2CCN(CC2)C(=O)OC(C)(C)C)O)F

InChI

InChI=1S/C23H36FN3O4/c1-22(2,3)20(29)26-18-10-8-16(19(24)25-18)17(28)9-7-15-11-13-27(14-12-15)21(30)31-23(4,5)6/h8,10,15,17,28H,7,9,11-14H2,1-6H3,(H,25,26,29)