[2-oxidanylidene-2-(3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl] quinoline-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl] quinoline-2-carboxylate Openeye Name: [2-oxo-2-(3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-oxo-2-(3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-keto-2-(3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl] ester Formula: C26H20N2O4 MolecularWeight: 424.448

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C2=CC=CC=C2O1)C(=O)COC(=O)C3=NC4=CC=CC=C4C=C3)C5=CC=CC=C5

Isomeric SMILES

C1C(N(C2=CC=CC=C2O1)C(=O)COC(=O)C3=NC4=CC=CC=C4C=C3)C5=CC=CC=C5

InChI

InChI=1S/C26H20N2O4/c29-25(17-32-26(30)21-15-14-18-8-4-5-11-20(18)27-21)28-22-12-6-7-13-24(22)31-16-23(28)19-9-2-1-3-10-19/h1-15,23H,16-17H2