2-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-pyridin-2-yl]ethyl]propanedioate

Systemtic Name: 2-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-pyridin-2-yl]ethyl]propanedioate Openeye Name: 2-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridyl]ethyl]propanedioate CAS Name: 2-[2-[6-(2,5-dimethyl-1-pyrrolyl)-4-methyl-2-pyridinyl]ethyl]propanedioate IUPAC Name: 2-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridin-2-yl]ethyl]propanedioate Traditional Name: 2-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridyl]ethyl]malonate Formula: C17H18N2O4-2 MolecularWeight: 314.33582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC(=CC(=N2)CCC(C(=O)[O-])C(=O)[O-])C)C

Isomeric SMILES

CC1=CC=C(N1C2=CC(=CC(=N2)CCC(C(=O)[O-])C(=O)[O-])C)C

InChI

InChI=1S/C17H20N2O4/c1-10-8-13(6-7-14(16(20)21)17(22)23)18-15(9-10)19-11(2)4-5-12(19)3/h4-5,8-9,14H,6-7H2,1-3H3,(H,20,21)(H,22,23)/p-2