[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl] 2-pyridin-3-ylquinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl] 2-pyridin-3-ylquinoline-4-carboxylate Openeye Name: [2-oxo-2-(tetrahydrofuran-2-ylmethylamino)ethyl] 2-(3-pyridyl)quinoline-4-carboxylate CAS Name: 2-(3-pyridinyl)-4-quinolinecarboxylic acid [2-oxo-2-(2-oxolanylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-pyridin-3-ylquinoline-4-carboxylate Traditional Name: 2-(3-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=CN=CC=C4

Isomeric SMILES

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

InChI

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