3-(8-methyl-4-azabicyclo[3.2.1]octan-3-yl)-2-oxidanylidene-1-propyl-quinoline-4-carboxylic acid

Systemtic Name: 3-(8-methyl-4-azabicyclo[3.2.1]octan-3-yl)-2-oxidanylidene-1-propyl-quinoline-4-carboxylic acid Openeye Name: 3-(8-methyl-4-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1-propyl-quinoline-4-carboxylic acid CAS Name: 3-(8-methyl-4-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1-propyl-4-quinolinecarboxylic acid IUPAC Name: 3-(8-methyl-4-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1-propylquinoline-4-carboxylic acid Traditional Name: 2-keto-3-(8-methyl-4-azabicyclo[3.2.1]octan-3-yl)-1-propyl-cinchoninic acid Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2C(=C(C1=O)C3CC4CCC(C4C)N3)C(=O)O

Isomeric SMILES

CCCN1C2=CC=CC=C2C(=C(C1=O)C3CC4CCC(C4C)N3)C(=O)O

InChI

InChI=1S/C21H26N2O3/c1-3-10-23-17-7-5-4-6-14(17)18(21(25)26)19(20(23)24)16-11-13-8-9-15(22-16)12(13)2/h4-7,12-13,15-16,22H,3,8-11H2,1-2H3,(H,25,26)