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

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

Isomeric SMILES

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

InChI

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