methyl 4-[[(2R)-2-ethyl-6-methanoyl-3-oxidanylidene-1,4-benzoxazin-4-yl]methyl]benzoate

Systemtic Name: methyl 4-[[(2R)-2-ethyl-6-methanoyl-3-oxidanylidene-1,4-benzoxazin-4-yl]methyl]benzoate Openeye Name: methyl 4-[[(2R)-2-ethyl-6-formyl-3-oxo-1,4-benzoxazin-4-yl]methyl]benzoate CAS Name: 4-[[(2R)-2-ethyl-6-formyl-3-oxo-1,4-benzoxazin-4-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2R)-2-ethyl-6-formyl-3-oxo-1,4-benzoxazin-4-yl]methyl]benzoate Traditional Name: 4-[[(2R)-2-ethyl-6-formyl-3-keto-1,4-benzoxazin-4-yl]methyl]benzoic acid methyl ester Formula: C20H19NO5 MolecularWeight: 353.36856

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C2=C(O1)C=CC(=C2)C=O)CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC[C@@H]1C(=O)N(C2=C(O1)C=CC(=C2)C=O)CC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H19NO5/c1-3-17-19(23)21(16-10-14(12-22)6-9-18(16)26-17)11-13-4-7-15(8-5-13)20(24)25-2/h4-10,12,17H,3,11H2,1-2H3/t17-/m1/s1