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

Systemtic Name: [2-oxidanylidene-2-(phenethylamino)ethyl] 2-pyridin-2-ylquinoline-4-carboxylate Openeye Name: [2-oxo-2-(phenethylamino)ethyl] 2-(2-pyridyl)quinoline-4-carboxylate CAS Name: 2-(2-pyridinyl)-4-quinolinecarboxylic acid [2-oxo-2-(phenethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(phenethylamino)ethyl] 2-pyridin-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-pyridyl)cinchoninic acid [2-keto-2-(phenethylamino)ethyl] ester Formula: C25H21N3O3 MolecularWeight: 411.45254

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=N4

InChI

InChI=1S/C25H21N3O3/c29-24(27-15-13-18-8-2-1-3-9-18)17-31-25(30)20-16-23(22-12-6-7-14-26-22)28-21-11-5-4-10-19(20)21/h1-12,14,16H,13,15,17H2,(H,27,29)