5-[[[3-cyano-6-(dimethylamino)-4-methyl-pyridin-2-yl]-methyl-amino]methyl]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[[[3-cyano-6-(dimethylamino)-4-methyl-pyridin-2-yl]-methyl-amino]methyl]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[[3-cyano-6-(dimethylamino)-4-methyl-2-pyridyl]-methyl-amino]methyl]benzene-1,3-dicarboxylic acid CAS Name: 5-[[[3-cyano-6-(dimethylamino)-4-methyl-2-pyridinyl]-methylamino]methyl]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[[3-cyano-6-(dimethylamino)-4-methylpyridin-2-yl]-methylamino]methyl]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[[3-cyano-6-(dimethylamino)-4-methyl-2-pyridyl]-methyl-amino]methyl]isophthalic acid Formula: C19H20N4O4 MolecularWeight: 368.3865

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)N(C)CC2=CC(=CC(=C2)C(=O)O)C(=O)O)N(C)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)N(C)CC2=CC(=CC(=C2)C(=O)O)C(=O)O)N(C)C

InChI

InChI=1S/C19H20N4O4/c1-11-5-16(22(2)3)21-17(15(11)9-20)23(4)10-12-6-13(18(24)25)8-14(7-12)19(26)27/h5-8H,10H2,1-4H3,(H,24,25)(H,26,27)