dihexyl 2-[[[5-(2,6-dimethylpyridin-4-yl)-2-oxidanylidene-1H-pyridin-3-yl]amino]methylidene]propanedioate

Systemtic Name: dihexyl 2-[[[5-(2,6-dimethylpyridin-4-yl)-2-oxidanylidene-1H-pyridin-3-yl]amino]methylidene]propanedioate Openeye Name: dihexyl 2-[[[5-(2,6-dimethyl-4-pyridyl)-2-oxo-1H-pyridin-3-yl]amino]methylene]propanedioate CAS Name: 2-[[[5-(2,6-dimethyl-4-pyridinyl)-2-oxo-1H-pyridin-3-yl]amino]methylidene]propanedioic acid dihexyl ester IUPAC Name: dihexyl 2-[[[5-(2,6-dimethylpyridin-4-yl)-2-oxo-1H-pyridin-3-yl]amino]methylidene]propanedioate Traditional Name: 2-[[[5-(2,6-dimethyl-4-pyridyl)-2-keto-1H-pyridin-3-yl]amino]methylene]malonic acid dihexyl ester Formula: C28H39N3O5 MolecularWeight: 497.62636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C(=CNC1=CC(=CNC1=O)C2=CC(=NC(=C2)C)C)C(=O)OCCCCCC

Isomeric SMILES

CCCCCCOC(=O)C(=CNC1=CC(=CNC1=O)C2=CC(=NC(=C2)C)C)C(=O)OCCCCCC

InChI

InChI=1S/C28H39N3O5/c1-5-7-9-11-13-35-27(33)24(28(34)36-14-12-10-8-6-2)19-29-25-17-23(18-30-26(25)32)22-15-20(3)31-21(4)16-22/h15-19,29H,5-14H2,1-4H3,(H,30,32)