3-(7-butan-2-ylimidazo[4,5-b]pyridin-3-yl)-2-methyl-quinoline-4-carboxylic acid

Systemtic Name: 3-(7-butan-2-ylimidazo[4,5-b]pyridin-3-yl)-2-methyl-quinoline-4-carboxylic acid Openeye Name: 2-methyl-3-(7-sec-butylimidazo[4,5-b]pyridin-3-yl)quinoline-4-carboxylic acid CAS Name: 3-(7-butan-2-yl-3-imidazo[4,5-b]pyridinyl)-2-methyl-4-quinolinecarboxylic acid IUPAC Name: 3-(7-butan-2-ylimidazo[4,5-b]pyridin-3-yl)-2-methylquinoline-4-carboxylic acid Traditional Name: 2-methyl-3-(7-sec-butylimidazo[4,5-b]pyridin-3-yl)cinchoninic acid Formula: C21H20N4O2 MolecularWeight: 360.4091

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=C2C(=NC=C1)N(C=N2)C3=C(C4=CC=CC=C4N=C3C)C(=O)O

Isomeric SMILES

CCC(C)C1=C2C(=NC=C1)N(C=N2)C3=C(C4=CC=CC=C4N=C3C)C(=O)O

InChI

InChI=1S/C21H20N4O2/c1-4-12(2)14-9-10-22-20-18(14)23-11-25(20)19-13(3)24-16-8-6-5-7-15(16)17(19)21(26)27/h5-12H,4H2,1-3H3,(H,26,27)