diethyl 2-[[4-[6-(2,5-dimethylpyrrol-2-yl)pyridin-2-yl]phenyl]methylidene]propanedioate

Systemtic Name: diethyl 2-[[4-[6-(2,5-dimethylpyrrol-2-yl)pyridin-2-yl]phenyl]methylidene]propanedioate Openeye Name: diethyl 2-[[4-[6-(2,5-dimethylpyrrol-2-yl)-2-pyridyl]phenyl]methylene]propanedioate CAS Name: 2-[[4-[6-(2,5-dimethyl-2-pyrrolyl)-2-pyridinyl]phenyl]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[4-[6-(2,5-dimethylpyrrol-2-yl)pyridin-2-yl]phenyl]methylidene]propanedioate Traditional Name: 2-[4-[6-(2,5-dimethylpyrrol-2-yl)-2-pyridyl]benzylidene]malonic acid diethyl ester Formula: C25H26N2O4 MolecularWeight: 418.48494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC=C(C=C1)C2=NC(=CC=C2)C3(C=CC(=N3)C)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CC1=CC=C(C=C1)C2=NC(=CC=C2)C3(C=CC(=N3)C)C)C(=O)OCC

InChI

InChI=1S/C25H26N2O4/c1-5-30-23(28)20(24(29)31-6-2)16-18-10-12-19(13-11-18)21-8-7-9-22(26-21)25(4)15-14-17(3)27-25/h7-16H,5-6H2,1-4H3