ethyl 3-[(2S)-3-oxidanylidene-6-propanoyl-2-propan-2-yl-1,4-benzoxazin-4-yl]propanoate

Systemtic Name: ethyl 3-[(2S)-3-oxidanylidene-6-propanoyl-2-propan-2-yl-1,4-benzoxazin-4-yl]propanoate Openeye Name: ethyl 3-[(2S)-2-isopropyl-3-oxo-6-propanoyl-1,4-benzoxazin-4-yl]propanoate CAS Name: 3-[(2S)-3-oxo-6-(1-oxopropyl)-2-propan-2-yl-1,4-benzoxazin-4-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(2S)-3-oxo-6-propanoyl-2-propan-2-yl-1,4-benzoxazin-4-yl]propanoate Traditional Name: 3-[(2S)-2-isopropyl-3-keto-6-propionyl-1,4-benzoxazin-4-yl]propionic acid ethyl ester Formula: C19H25NO5 MolecularWeight: 347.4055

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC2=C(C=C1)OC(C(=O)N2CCC(=O)OCC)C(C)C

Isomeric SMILES

CCC(=O)C1=CC2=C(C=C1)O[C@H](C(=O)N2CCC(=O)OCC)C(C)C

InChI

InChI=1S/C19H25NO5/c1-5-15(21)13-7-8-16-14(11-13)20(10-9-17(22)24-6-2)19(23)18(25-16)12(3)4/h7-8,11-12,18H,5-6,9-10H2,1-4H3/t18-/m0/s1