4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 4-(5-bromo-2-methoxy-phenyl)-4-oxo-butanoate CAS Name: 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoate Traditional Name: 4-(5-bromo-2-methoxy-phenyl)-4-keto-butyric acid 4-phthalimidobutyl ester Formula: C23H22BrNO6 MolecularWeight: 488.32788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)OCCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)OCCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C23H22BrNO6/c1-30-20-10-8-15(24)14-18(20)19(26)9-11-21(27)31-13-5-4-12-25-22(28)16-6-2-3-7-17(16)23(25)29/h2-3,6-8,10,14H,4-5,9,11-13H2,1H3