[2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl] (2S)-4-ethanoyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate

Systemtic Name: [2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl] (2S)-4-ethanoyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate Openeye Name: [2-(2,5-dimethoxyphenyl)-2-oxo-ethyl] (2S)-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate CAS Name: (2S)-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid [2-(2,5-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethoxyphenyl)-2-oxoethyl] (2S)-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate Traditional Name: (2S)-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid [2-(2,5-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C21H21NO7 MolecularWeight: 399.39394

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(OC2=CC=CC=C21)C(=O)OCC(=O)C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CC(=O)N1C[C@H](OC2=CC=CC=C21)C(=O)OCC(=O)C3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C21H21NO7/c1-13(23)22-11-20(29-19-7-5-4-6-16(19)22)21(25)28-12-17(24)15-10-14(26-2)8-9-18(15)27-3/h4-10,20H,11-12H2,1-3H3/t20-/m0/s1