diethyl 2,6-dimethyl-4-[(E)-2-phenylethenyl]pyridine-3,5-dicarboxylate dihydrate hydrochloride

Systemtic Name: diethyl 2,6-dimethyl-4-[(E)-2-phenylethenyl]pyridine-3,5-dicarboxylate dihydrate hydrochloride Openeye Name: diethyl 2,6-dimethyl-4-[(E)-styryl]pyridine-3,5-dicarboxylate dihydrate hydrochloride CAS Name: 2,6-dimethyl-4-[(E)-2-phenylethenyl]pyridine-3,5-dicarboxylic acid diethyl ester dihydrate hydrochloride IUPAC Name: diethyl 2,6-dimethyl-4-[(E)-2-phenylethenyl]pyridine-3,5-dicarboxylate dihydrate hydrochloride Traditional Name: 2,6-dimethyl-4-[(E)-styryl]pyridine-3,5-dicarboxylic acid diethyl ester dihydrate hydrochloride Formula: C21H28ClNO6 MolecularWeight: 425.90312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1C=CC2=CC=CC=C2)C(=O)OCC)C)C.O.O.Cl

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1/C=C/C2=CC=CC=C2)C(=O)OCC)C)C.O.O.Cl

InChI

InChI=1S/C21H23NO4.ClH.2H2O/c1-5-25-20(23)18-14(3)22-15(4)19(21(24)26-6-2)17(18)13-12-16-10-8-7-9-11-16;;;/h7-13H,5-6H2,1-4H3;1H;2*1H2/b13-12+;;;