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

Systemtic Name: 3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxidanylidene-1-pentyl-quinoline-4-carboxylate Openeye Name: 3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1-pentyl-quinoline-4-carboxylate CAS Name: 3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1-pentyl-4-quinolinecarboxylate IUPAC Name: 3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1-pentylquinoline-4-carboxylate Traditional Name: 1-amyl-2-keto-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)cinchoninate Formula: C23H29N2O3- MolecularWeight: 381.48796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=CC=CC=C2C(=C(C1=O)C3CC4CCC(C3)N4C)C(=O)[O-]

Isomeric SMILES

CCCCCN1C2=CC=CC=C2C(=C(C1=O)C3CC4CCC(C3)N4C)C(=O)[O-]

InChI

InChI=1S/C23H30N2O3/c1-3-4-7-12-25-19-9-6-5-8-18(19)21(23(27)28)20(22(25)26)15-13-16-10-11-17(14-15)24(16)2/h5-6,8-9,15-17H,3-4,7,10-14H2,1-2H3,(H,27,28)/p-1