1-heptan-2-yl-9-methyl-4-oxidanylidene-quinolizine-3-carboxylic acid

Systemtic Name: 1-heptan-2-yl-9-methyl-4-oxidanylidene-quinolizine-3-carboxylic acid Openeye Name: 9-methyl-1-(1-methylhexyl)-4-oxo-quinolizine-3-carboxylic acid CAS Name: 1-heptan-2-yl-9-methyl-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 1-heptan-2-yl-9-methyl-4-oxoquinolizine-3-carboxylic acid Traditional Name: 4-keto-9-methyl-1-(1-methylhexyl)quinolizine-3-carboxylic acid Formula: C18H23NO3 MolecularWeight: 301.38012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)C1=C2C(=CC=CN2C(=O)C(=C1)C(=O)O)C

Isomeric SMILES

CCCCCC(C)C1=C2C(=CC=CN2C(=O)C(=C1)C(=O)O)C

InChI

InChI=1S/C18H23NO3/c1-4-5-6-8-12(2)14-11-15(18(21)22)17(20)19-10-7-9-13(3)16(14)19/h7,9-12H,4-6,8H2,1-3H3,(H,21,22)