6-butanoyl-1-ethyl-7-methyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-butanoyl-1-ethyl-7-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-butanoyl-1-ethyl-7-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-7-methyl-4-oxo-6-(1-oxobutyl)-3-quinolinecarboxylic acid IUPAC Name: 6-butanoyl-1-ethyl-7-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-butyryl-1-ethyl-4-keto-7-methyl-quinoline-3-carboxylic acid Formula: C17H19NO4 MolecularWeight: 301.33706

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C=C2C(=C1)C(=O)C(=CN2CC)C(=O)O)C

Isomeric SMILES

CCCC(=O)C1=C(C=C2C(=C1)C(=O)C(=CN2CC)C(=O)O)C

InChI

InChI=1S/C17H19NO4/c1-4-6-15(19)11-8-12-14(7-10(11)3)18(5-2)9-13(16(12)20)17(21)22/h7-9H,4-6H2,1-3H3,(H,21,22)