[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl] 2-pyridin-4-ylquinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl] 2-pyridin-4-ylquinoline-4-carboxylate Openeye Name: [2-oxo-2-(tetrahydrofuran-2-ylmethylamino)ethyl] 2-(4-pyridyl)quinoline-4-carboxylate CAS Name: 2-pyridin-4-yl-4-quinolinecarboxylic acid [2-oxo-2-(2-oxolanylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-pyridin-4-ylquinoline-4-carboxylate Traditional Name: 2-(4-pyridyl)cinchoninic acid [2-keto-2-(tetrahydrofurfurylamino)ethyl] ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=NC=C4

Isomeric SMILES

C1CC(OC1)CNC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=NC=C4

InChI

InChI=1S/C22H21N3O4/c26-21(24-13-16-4-3-11-28-16)14-29-22(27)18-12-20(15-7-9-23-10-8-15)25-19-6-2-1-5-17(18)19/h1-2,5-10,12,16H,3-4,11,13-14H2,(H,24,26)