dimethyl 4-(6-bromanyl-1,3-benzodioxol-5-yl)-1-phenethyl-4H-pyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 4-(6-bromanyl-1,3-benzodioxol-5-yl)-1-phenethyl-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-1-phenethyl-4H-pyridine-3,5-dicarboxylate CAS Name: 4-(6-bromo-1,3-benzodioxol-5-yl)-1-phenethyl-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-1-phenethyl-4H-pyridine-3,5-dicarboxylate Traditional Name: 4-(6-bromo-1,3-benzodioxol-5-yl)-1-phenethyl-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C24H22BrNO6 MolecularWeight: 500.33858

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C=C(C1C2=CC3=C(C=C2Br)OCO3)C(=O)OC)CCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CN(C=C(C1C2=CC3=C(C=C2Br)OCO3)C(=O)OC)CCC4=CC=CC=C4

InChI

InChI=1S/C24H22BrNO6/c1-29-23(27)17-12-26(9-8-15-6-4-3-5-7-15)13-18(24(28)30-2)22(17)16-10-20-21(11-19(16)25)32-14-31-20/h3-7,10-13,22H,8-9,14H2,1-2H3