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

Systemtic Name: cyclohexyl (2R)-2-[(2R)-2-ethyl-6-methanoyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoate Openeye Name: cyclohexyl (2R)-2-[(2R)-2-ethyl-6-formyl-3-oxo-1,4-benzoxazin-4-yl]propanoate CAS Name: (2R)-2-[(2R)-2-ethyl-6-formyl-3-oxo-1,4-benzoxazin-4-yl]propanoic acid cyclohexyl ester IUPAC Name: cyclohexyl (2R)-2-[(2R)-2-ethyl-6-formyl-3-oxo-1,4-benzoxazin-4-yl]propanoate Traditional Name: (2R)-2-[(2R)-2-ethyl-6-formyl-3-keto-1,4-benzoxazin-4-yl]propionic acid cyclohexyl ester Formula: C20H25NO5 MolecularWeight: 359.4162

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C2=C(O1)C=CC(=C2)C=O)C(C)C(=O)OC3CCCCC3

Isomeric SMILES

CC[C@@H]1C(=O)N(C2=C(O1)C=CC(=C2)C=O)[C@H](C)C(=O)OC3CCCCC3

InChI

InChI=1S/C20H25NO5/c1-3-17-19(23)21(16-11-14(12-22)9-10-18(16)26-17)13(2)20(24)25-15-7-5-4-6-8-15/h9-13,15,17H,3-8H2,1-2H3/t13-,17-/m1/s1