4-(2-methylpropyl)-1,2-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 4-(2-methylpropyl)-1,2-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 4-isobutyl-1,2-dihydropyridine-3,5-dicarboxylic acid CAS Name: 4-(2-methylpropyl)-1,2-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 4-(2-methylpropyl)-1,2-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 4-isobutyl-1,2-dihydropyridine-3,5-dicarboxylic acid Formula: C11H15NO4 MolecularWeight: 225.2411

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(CNC=C1C(=O)O)C(=O)O

Isomeric SMILES

CC(C)CC1=C(CNC=C1C(=O)O)C(=O)O

InChI

InChI=1S/C11H15NO4/c1-6(2)3-7-8(10(13)14)4-12-5-9(7)11(15)16/h4,6,12H,3,5H2,1-2H3,(H,13,14)(H,15,16)