4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 3-(2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 3-(2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoate CAS Name: 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoate Traditional Name: 3-(3-keto-2-methyl-1,4-benzoxazin-4-yl)propionic acid 4-phthalimidobutyl ester Formula: C24H24N2O6 MolecularWeight: 436.45716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=CC=CC=C2O1)CCC(=O)OCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1C(=O)N(C2=CC=CC=C2O1)CCC(=O)OCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C24H24N2O6/c1-16-22(28)25(19-10-4-5-11-20(19)32-16)14-12-21(27)31-15-7-6-13-26-23(29)17-8-2-3-9-18(17)24(26)30/h2-5,8-11,16H,6-7,12-15H2,1H3