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

Systemtic Name: dimethyl 4-(3-bromanyl-4,5-diethoxy-phenyl)-1-cyclopropyl-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 4-(3-bromo-4,5-diethoxy-phenyl)-1-cyclopropyl-4H-pyridine-3,5-dicarboxylate CAS Name: 4-(3-bromo-4,5-diethoxyphenyl)-1-cyclopropyl-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-(3-bromo-4,5-diethoxyphenyl)-1-cyclopropyl-4H-pyridine-3,5-dicarboxylate Traditional Name: 4-(3-bromo-4,5-diethoxy-phenyl)-1-cyclopropyl-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C22H26BrNO6 MolecularWeight: 480.34894

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrNO6/c1-5-29-18-10-13(9-17(23)20(18)30-6-2)19-15(21(25)27-3)11-24(14-7-8-14)12-16(19)22(26)28-4/h9-12,14,19H,5-8H2,1-4H3