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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2C(=CN(C=C2C(=O)OC)C3CC3)C(=O)OC)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C2C(=CN(C=C2C(=O)OC)C3CC3)C(=O)OC)Br)OC

InChI

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