6-butanoyl-1,7-dimethyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-butanoyl-1,7-dimethyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-butanoyl-1,7-dimethyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 1,7-dimethyl-4-oxo-6-(1-oxobutyl)-3-quinolinecarboxylic acid IUPAC Name: 6-butanoyl-1,7-dimethyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-butyryl-4-keto-1,7-dimethyl-quinoline-3-carboxylic acid Formula: C16H17NO4 MolecularWeight: 287.31048

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C=C2C(=C1)C(=O)C(=CN2C)C(=O)O)C

Isomeric SMILES

CCCC(=O)C1=C(C=C2C(=C1)C(=O)C(=CN2C)C(=O)O)C

InChI

InChI=1S/C16H17NO4/c1-4-5-14(18)10-7-11-13(6-9(10)2)17(3)8-12(15(11)19)16(20)21/h6-8H,4-5H2,1-3H3,(H,20,21)