dimethyl 4-(5-bromanyl-2-methoxy-phenyl)-1-(phenylmethyl)-4H-pyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 4-(5-bromanyl-2-methoxy-phenyl)-1-(phenylmethyl)-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 1-benzyl-4-(5-bromo-2-methoxy-phenyl)-4H-pyridine-3,5-dicarboxylate CAS Name: 4-(5-bromo-2-methoxyphenyl)-1-(phenylmethyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-benzyl-4-(5-bromo-2-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 1-benzyl-4-(5-bromo-2-methoxy-phenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C23H22BrNO5 MolecularWeight: 472.32848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C2C(=CN(C=C2C(=O)OC)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C2C(=CN(C=C2C(=O)OC)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C23H22BrNO5/c1-28-20-10-9-16(24)11-17(20)21-18(22(26)29-2)13-25(14-19(21)23(27)30-3)12-15-7-5-4-6-8-15/h4-11,13-14,21H,12H2,1-3H3