[8-(2-azanyl-2-oxidanylidene-ethyl)-8-azabicyclo[3.2.1]octan-3-yl] 2-oxidanylidene-1-propan-2-yl-quinoline-3-carboxylate

Systemtic Name: [8-(2-azanyl-2-oxidanylidene-ethyl)-8-azabicyclo[3.2.1]octan-3-yl] 2-oxidanylidene-1-propan-2-yl-quinoline-3-carboxylate Openeye Name: [8-(2-amino-2-oxo-ethyl)-8-azabicyclo[3.2.1]octan-3-yl] 1-isopropyl-2-oxo-quinoline-3-carboxylate CAS Name: 2-oxo-1-propan-2-yl-3-quinolinecarboxylic acid [8-(2-amino-2-oxoethyl)-8-azabicyclo[3.2.1]octan-3-yl] ester IUPAC Name: [8-(2-amino-2-oxoethyl)-8-azabicyclo[3.2.1]octan-3-yl] 2-oxo-1-propan-2-ylquinoline-3-carboxylate Traditional Name: 1-isopropyl-2-keto-quinoline-3-carboxylic acid [8-(2-amino-2-keto-ethyl)-8-azabicyclo[3.2.1]octan-3-yl] ester Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=CC=CC=C2C=C(C1=O)C(=O)OC3CC4CCC(C3)N4CC(=O)N

Isomeric SMILES

CC(C)N1C2=CC=CC=C2C=C(C1=O)C(=O)OC3CC4CCC(C3)N4CC(=O)N

InChI

InChI=1S/C22H27N3O4/c1-13(2)25-19-6-4-3-5-14(19)9-18(21(25)27)22(28)29-17-10-15-7-8-16(11-17)24(15)12-20(23)26/h3-6,9,13,15-17H,7-8,10-12H2,1-2H3,(H2,23,26)