2-[methyl(pentan-3-yl)amino]quinoline-4-carboxylic acid

Systemtic Name: 2-[methyl(pentan-3-yl)amino]quinoline-4-carboxylic acid Openeye Name: 2-[1-ethylpropyl(methyl)amino]quinoline-4-carboxylic acid CAS Name: 2-[methyl(pentan-3-yl)amino]-4-quinolinecarboxylic acid IUPAC Name: 2-[methyl(pentan-3-yl)amino]quinoline-4-carboxylic acid Traditional Name: 2-[1-ethylpropyl(methyl)amino]cinchoninic acid Formula: C16H20N2O2 MolecularWeight: 272.3422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N(C)C1=NC2=CC=CC=C2C(=C1)C(=O)O

Isomeric SMILES

CCC(CC)N(C)C1=NC2=CC=CC=C2C(=C1)C(=O)O

InChI

InChI=1S/C16H20N2O2/c1-4-11(5-2)18(3)15-10-13(16(19)20)12-8-6-7-9-14(12)17-15/h6-11H,4-5H2,1-3H3,(H,19,20)