dimethyl 4-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-1-cyclopropyl-4H-pyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 4-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-1-cyclopropyl-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-1-cyclopropyl-4H-pyridine-3,5-dicarboxylate CAS Name: 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-1-cyclopropyl-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-1-cyclopropyl-4H-pyridine-3,5-dicarboxylate Traditional Name: 4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-1-cyclopropyl-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C20H22BrNO6 MolecularWeight: 452.29578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C(=CN(C=C2C(=O)OC)C3CC3)C(=O)OC)Br)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2C(=CN(C=C2C(=O)OC)C3CC3)C(=O)OC)Br)O

InChI

InChI=1S/C20H22BrNO6/c1-4-28-16-8-11(7-15(21)18(16)23)17-13(19(24)26-2)9-22(12-5-6-12)10-14(17)20(25)27-3/h7-10,12,17,23H,4-6H2,1-3H3