diethyl 4-(3-imidazol-1-ylphenyl)-2,6-dimethyl-pyridine-3,5-dicarboxylate dihydrochloride

Systemtic Name: diethyl 4-(3-imidazol-1-ylphenyl)-2,6-dimethyl-pyridine-3,5-dicarboxylate dihydrochloride Openeye Name: diethyl 4-(3-imidazol-1-ylphenyl)-2,6-dimethyl-pyridine-3,5-dicarboxylate dihydrochloride CAS Name: 4-[3-(1-imidazolyl)phenyl]-2,6-dimethylpyridine-3,5-dicarboxylic acid diethyl ester dihydrochloride IUPAC Name: diethyl 4-(3-imidazol-1-ylphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate dihydrochloride Traditional Name: 4-(3-imidazol-1-ylphenyl)-2,6-dimethyl-pyridine-3,5-dicarboxylic acid diethyl ester dihydrochloride Formula: C22H25Cl2N3O4 MolecularWeight: 466.3576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1C2=CC(=CC=C2)N3C=CN=C3)C(=O)OCC)C)C.Cl.Cl

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1C2=CC(=CC=C2)N3C=CN=C3)C(=O)OCC)C)C.Cl.Cl

InChI

InChI=1S/C22H23N3O4.2ClH/c1-5-28-21(26)18-14(3)24-15(4)19(22(27)29-6-2)20(18)16-8-7-9-17(12-16)25-11-10-23-13-25;;/h7-13H,5-6H2,1-4H3;2*1H