dimethyl 4-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-1-[(3,4-dimethoxyphenyl)methyl]-4H-pyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 4-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-1-[(3,4-dimethoxyphenyl)methyl]-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-1-[(3,4-dimethoxyphenyl)methyl]-4H-pyridine-3,5-dicarboxylate CAS Name: 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]-4H-pyridine-3,5-dicarboxylate Traditional Name: 4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-1-veratryl-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C26H28BrNO8 MolecularWeight: 562.40642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C(=CN(C=C2C(=O)OC)CC3=CC(=C(C=C3)OC)OC)C(=O)OC)Br)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2C(=CN(C=C2C(=O)OC)CC3=CC(=C(C=C3)OC)OC)C(=O)OC)Br)O

InChI

InChI=1S/C26H28BrNO8/c1-6-36-22-11-16(10-19(27)24(22)29)23-17(25(30)34-4)13-28(14-18(23)26(31)35-5)12-15-7-8-20(32-2)21(9-15)33-3/h7-11,13-14,23,29H,6,12H2,1-5H3