[2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl] 3-(3,5-dimethoxyphenyl)propanoate

Systemtic Name: [2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl] 3-(3,5-dimethoxyphenyl)propanoate Openeye Name: [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 3-(3,5-dimethoxyphenyl)propanoate CAS Name: 3-(3,5-dimethoxyphenyl)propanoic 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-(3,5-dimethoxyphenyl)propanoate Traditional Name: 3-(3,5-dimethoxyphenyl)propionic acid [2-keto-2-(3-keto-4H-1,4-benzoxazin-6-yl)ethyl] ester Formula: C21H21NO7 MolecularWeight: 399.39394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CCC(=O)OCC(=O)C2=CC3=C(C=C2)OCC(=O)N3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CCC(=O)OCC(=O)C2=CC3=C(C=C2)OCC(=O)N3)OC

InChI

InChI=1S/C21H21NO7/c1-26-15-7-13(8-16(10-15)27-2)3-6-21(25)29-11-18(23)14-4-5-19-17(9-14)22-20(24)12-28-19/h4-5,7-10H,3,6,11-12H2,1-2H3,(H,22,24)