tert-butyl 2-[6-(bromomethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]pyridin-2-yl]-6-methyl-pyridine-4-carboxylate

Systemtic Name: tert-butyl 2-[6-(bromomethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]pyridin-2-yl]-6-methyl-pyridine-4-carboxylate Openeye Name: tert-butyl 2-[6-(bromomethyl)-4-tert-butoxycarbonyl-2-pyridyl]-6-methyl-pyridine-4-carboxylate CAS Name: 2-[6-(bromomethyl)-4-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-pyridinyl]-6-methyl-4-pyridinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[6-(bromomethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]pyridin-2-yl]-6-methylpyridine-4-carboxylate Traditional Name: 2-[6-(bromomethyl)-4-tert-butoxycarbonyl-2-pyridyl]-6-methyl-isonicotinic acid tert-butyl ester Formula: C22H27BrN2O4 MolecularWeight: 463.36478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=N1)C2=NC(=CC(=C2)C(=O)OC(C)(C)C)CBr)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=N1)C2=NC(=CC(=C2)C(=O)OC(C)(C)C)CBr)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H27BrN2O4/c1-13-8-14(19(26)28-21(2,3)4)10-17(24-13)18-11-15(9-16(12-23)25-18)20(27)29-22(5,6)7/h8-11H,12H2,1-7H3