(3,3-dimethyl-2-oxidanylidene-butyl) 2,6-dimethylquinoline-4-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2,6-dimethylquinoline-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2,6-dimethylquinoline-4-carboxylate CAS Name: 2,6-dimethyl-4-quinolinecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2,6-dimethylquinoline-4-carboxylate Traditional Name: 2,6-dimethylcinchoninic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C18H21NO3 MolecularWeight: 299.36424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)C(C)(C)C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)C(C)(C)C)C

InChI

InChI=1S/C18H21NO3/c1-11-6-7-15-13(8-11)14(9-12(2)19-15)17(21)22-10-16(20)18(3,4)5/h6-9H,10H2,1-5H3