(3,3-dimethyl-2-oxidanylidene-butyl) 2-pyridin-3-ylquinoline-4-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-pyridin-3-ylquinoline-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-(3-pyridyl)quinoline-4-carboxylate CAS Name: 2-(3-pyridinyl)-4-quinolinecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-pyridin-3-ylquinoline-4-carboxylate Traditional Name: 2-(3-pyridyl)cinchoninic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CN=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CN=CC=C3

InChI

InChI=1S/C21H20N2O3/c1-21(2,3)19(24)13-26-20(25)16-11-18(14-7-6-10-22-12-14)23-17-9-5-4-8-15(16)17/h4-12H,13H2,1-3H3