diethyl 4-(3-bromanylpyridin-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 4-(3-bromanylpyridin-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 4-(3-bromo-4-pyridyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-(3-bromo-4-pyridinyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-(3-bromopyridin-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-(3-bromo-4-pyridyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C18H21BrN2O4 MolecularWeight: 409.27434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=C(C=NC=C2)Br)C(=O)OCC)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=C(C=NC=C2)Br)C(=O)OCC)C)C

InChI

InChI=1S/C18H21BrN2O4/c1-5-24-17(22)14-10(3)21-11(4)15(18(23)25-6-2)16(14)12-7-8-20-9-13(12)19/h7-9,16,21H,5-6H2,1-4H3