(3,3-dimethyl-2-oxidanylidene-butyl) quinoline-2-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) quinoline-2-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) quinoline-2-carboxylate Traditional Name: quinaldic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C16H17NO3 MolecularWeight: 271.31108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=NC2=CC=CC=C2C=C1

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=NC2=CC=CC=C2C=C1

InChI

InChI=1S/C16H17NO3/c1-16(2,3)14(18)10-20-15(19)13-9-8-11-6-4-5-7-12(11)17-13/h4-9H,10H2,1-3H3