tert-butyl 4-[[5-(4-aminocarbonyl-3-fluoranyl-phenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[5-(4-aminocarbonyl-3-fluoranyl-phenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[5-(4-carbamoyl-3-fluoro-phenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylate CAS Name: 4-[[5-(4-carbamoyl-3-fluorophenyl)-2-pyrimidinyl]oxymethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[5-(4-carbamoyl-3-fluorophenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylate Traditional Name: 4-[[5-(4-carbamoyl-3-fluoro-phenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H27FN4O4 MolecularWeight: 430.472583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)COC2=NC=C(C=N2)C3=CC(=C(C=C3)C(=O)N)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)COC2=NC=C(C=N2)C3=CC(=C(C=C3)C(=O)N)F

InChI

InChI=1S/C22H27FN4O4/c1-22(2,3)31-21(29)27-8-6-14(7-9-27)13-30-20-25-11-16(12-26-20)15-4-5-17(19(24)28)18(23)10-15/h4-5,10-12,14H,6-9,13H2,1-3H3,(H2,24,28)