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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=CC=CC=C2C(=C(C1=O)C3CC4CCC(C3)N4C)C(=O)O

Isomeric SMILES

CC(C)N1C2=CC=CC=C2C(=C(C1=O)C3CC4CCC(C3)N4C)C(=O)O

InChI

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