dimethyl 4-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 4-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: dimethyl 4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester Formula: C17H18BrNO6 MolecularWeight: 412.23192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C(=CNC=C2C(=O)OC)C(=O)OC)Br)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2C(=CNC=C2C(=O)OC)C(=O)OC)Br)O

InChI

InChI=1S/C17H18BrNO6/c1-4-25-13-6-9(5-12(18)15(13)20)14-10(16(21)23-2)7-19-8-11(14)17(22)24-3/h5-8,14,19-20H,4H2,1-3H3