(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-butyl-6-methyl-2-oxidanylidene-quinoline-4-carboxylate

Systemtic Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-butyl-6-methyl-2-oxidanylidene-quinoline-4-carboxylate Openeye Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-butyl-6-methyl-2-oxo-quinoline-4-carboxylate CAS Name: 1-butyl-6-methyl-2-oxo-4-quinolinecarboxylic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester IUPAC Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-butyl-6-methyl-2-oxoquinoline-4-carboxylate Traditional Name: 1-butyl-2-keto-6-methyl-cinchoninic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester Formula: C23H30N2O3 MolecularWeight: 382.4959

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)C)C(=CC1=O)C(=O)OC3CC4CCC(C3)N4C

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)C)C(=CC1=O)C(=O)OC3CC4CCC(C3)N4C

InChI

InChI=1S/C23H30N2O3/c1-4-5-10-25-21-9-6-15(2)11-19(21)20(14-22(25)26)23(27)28-18-12-16-7-8-17(13-18)24(16)3/h6,9,11,14,16-18H,4-5,7-8,10,12-13H2,1-3H3