methyl (2R)-2-[(2R)-6-butanoyl-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl]propanoate

Systemtic Name: methyl (2R)-2-[(2R)-6-butanoyl-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl]propanoate Openeye Name: methyl (2R)-2-[(2R)-6-butanoyl-2-isopropyl-3-oxo-1,4-benzoxazin-4-yl]propanoate CAS Name: (2R)-2-[(2R)-3-oxo-6-(1-oxobutyl)-2-propan-2-yl-1,4-benzoxazin-4-yl]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[(2R)-6-butanoyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]propanoate Traditional Name: (2R)-2-[(2R)-6-butyryl-2-isopropyl-3-keto-1,4-benzoxazin-4-yl]propionic acid methyl ester Formula: C19H25NO5 MolecularWeight: 347.4055

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC2=C(C=C1)OC(C(=O)N2C(C)C(=O)OC)C(C)C

Isomeric SMILES

CCCC(=O)C1=CC2=C(C=C1)O[C@@H](C(=O)N2[C@H](C)C(=O)OC)C(C)C

InChI

InChI=1S/C19H25NO5/c1-6-7-15(21)13-8-9-16-14(10-13)20(12(4)19(23)24-5)18(22)17(25-16)11(2)3/h8-12,17H,6-7H2,1-5H3/t12-,17-/m1/s1