(3,3-dimethyl-2-oxidanylidene-butyl) 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C19H23NO3 MolecularWeight: 313.39082

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C19H23NO3/c1-6-14-12(2)17(13-9-7-8-10-15(13)20-14)18(22)23-11-16(21)19(3,4)5/h7-10H,6,11H2,1-5H3