ditert-butyl 2,2-bis(bromomethyl)-6-pyridin-2-yl-1,3-dihydropyridine-4,4-dicarboxylate

Systemtic Name: ditert-butyl 2,2-bis(bromomethyl)-6-pyridin-2-yl-1,3-dihydropyridine-4,4-dicarboxylate Openeye Name: ditert-butyl 2,2-bis(bromomethyl)-6-(2-pyridyl)-1,3-dihydropyridine-4,4-dicarboxylate CAS Name: 2,2-bis(bromomethyl)-6-(2-pyridinyl)-1,3-dihydropyridine-4,4-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 2,2-bis(bromomethyl)-6-pyridin-2-yl-1,3-dihydropyridine-4,4-dicarboxylate Traditional Name: 2,2-bis(bromomethyl)-6-(2-pyridyl)-1,3-dihydropyridine-4,4-dicarboxylic acid ditert-butyl ester Formula: C22H30Br2N2O4 MolecularWeight: 546.2926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1(CC(NC(=C1)C2=CC=CC=N2)(CBr)CBr)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C1(CC(NC(=C1)C2=CC=CC=N2)(CBr)CBr)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H30Br2N2O4/c1-19(2,3)29-17(27)22(18(28)30-20(4,5)6)11-16(15-9-7-8-10-25-15)26-21(12-22,13-23)14-24/h7-11,26H,12-14H2,1-6H3