[2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl] 3-methyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl] 3-methyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 3-methyl-2-phenyl-quinoline-4-carboxylate CAS Name: 3-methyl-2-phenyl-4-quinolinecarboxylic acid [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] ester IUPAC Name: [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 3-methyl-2-phenylquinoline-4-carboxylate Traditional Name: 3-methyl-2-phenyl-cinchoninic acid [2-keto-2-(3-keto-4H-1,4-benzoxazin-6-yl)ethyl] ester Formula: C27H20N2O5 MolecularWeight: 452.4581

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)OCC(=O)C4=CC5=C(C=C4)OCC(=O)N5

Isomeric SMILES

CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)OCC(=O)C4=CC5=C(C=C4)OCC(=O)N5

InChI

InChI=1S/C27H20N2O5/c1-16-25(19-9-5-6-10-20(19)29-26(16)17-7-3-2-4-8-17)27(32)34-14-22(30)18-11-12-23-21(13-18)28-24(31)15-33-23/h2-13H,14-15H2,1H3,(H,28,31)