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

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

Systemtic Name:6-butanoyl-7-methyl-4-oxidanylidene-1-propyl-quinoline-3-carboxylic acid
Openeye Name:6-butanoyl-7-methyl-4-oxo-1-propyl-quinoline-3-carboxylic acid
CAS Name:7-methyl-4-oxo-6-(1-oxobutyl)-1-propyl-3-quinolinecarboxylic acid
IUPAC Name:6-butanoyl-7-methyl-4-oxo-1-propylquinoline-3-carboxylic acid
Traditional Name:6-butyryl-4-keto-7-methyl-1-propyl-quinoline-3-carboxylic acid
Formula: C18H21NO4
MolecularWeight: 315.36364
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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C=C2C(=C1)C(=O)C(=CN2CCC)C(=O)O)C


Isomeric SMILES

CCCC(=O)C1=C(C=C2C(=C1)C(=O)C(=CN2CCC)C(=O)O)C


InChI

InChI=1S/C18H21NO4/c1-4-6-16(20)12-9-13-15(8-11(12)3)19(7-5-2)10-14(17(13)21)18(22)23/h8-10H,4-7H2,1-3H3,(H,22,23)


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