3-methylbutyl (2S)-2-[(2S)-6-ethanoyl-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoate

Systemtic Name: 3-methylbutyl (2S)-2-[(2S)-6-ethanoyl-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoate Openeye Name: isopentyl (2S)-2-[(2S)-6-acetyl-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoate CAS Name: (2S)-2-[(2S)-6-acetyl-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl (2S)-2-[(2S)-6-acetyl-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoate Traditional Name: (2S)-2-[(2S)-6-acetyl-3-keto-2-methyl-1,4-benzoxazin-4-yl]propionic acid isoamyl ester Formula: C19H25NO5 MolecularWeight: 347.4055

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)C)C(C)C(=O)OCCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO5/c1-11(2)8-9-24-19(23)12(3)20-16-10-15(13(4)21)6-7-17(16)25-14(5)18(20)22/h6-7,10-12,14H,8-9H2,1-5H3/t12-,14-/m0/s1