propan-2-yl (2S)-2-(2,2-dimethyl-3-oxidanylidene-6-propanoyl-1,4-benzoxazin-4-yl)butanoate

Systemtic Name: propan-2-yl (2S)-2-(2,2-dimethyl-3-oxidanylidene-6-propanoyl-1,4-benzoxazin-4-yl)butanoate Openeye Name: isopropyl (2S)-2-(2,2-dimethyl-3-oxo-6-propanoyl-1,4-benzoxazin-4-yl)butanoate CAS Name: (2S)-2-[2,2-dimethyl-3-oxo-6-(1-oxopropyl)-1,4-benzoxazin-4-yl]butanoic acid propan-2-yl ester IUPAC Name: propan-2-yl (2S)-2-(2,2-dimethyl-3-oxo-6-propanoyl-1,4-benzoxazin-4-yl)butanoate Traditional Name: (2S)-2-(3-keto-2,2-dimethyl-6-propionyl-1,4-benzoxazin-4-yl)butyric acid isopropyl ester Formula: C20H27NO5 MolecularWeight: 361.43208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC(C)C)N1C2=C(C=CC(=C2)C(=O)CC)OC(C1=O)(C)C

Isomeric SMILES

CC[C@@H](C(=O)OC(C)C)N1C2=C(C=CC(=C2)C(=O)CC)OC(C1=O)(C)C

InChI

InChI=1S/C20H27NO5/c1-7-14(18(23)25-12(3)4)21-15-11-13(16(22)8-2)9-10-17(15)26-20(5,6)19(21)24/h9-12,14H,7-8H2,1-6H3/t14-/m0/s1