methyl 7-[4-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]butanoylamino]heptanoate

Systemtic Name: methyl 7-[4-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]butanoylamino]heptanoate Openeye Name: methyl 7-[4-(5-bromo-1,3-dioxo-isoindolin-2-yl)butanoylamino]heptanoate CAS Name: 7-[[4-(5-bromo-1,3-dioxo-2-isoindolyl)-1-oxobutyl]amino]heptanoic acid methyl ester IUPAC Name: methyl 7-[4-(5-bromo-1,3-dioxoisoindol-2-yl)butanoylamino]heptanoate Traditional Name: 7-[4-(5-bromo-1,3-diketo-isoindolin-2-yl)butanoylamino]enanthic acid methyl ester Formula: C20H25BrN2O5 MolecularWeight: 453.3269

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCNC(=O)CCCN1C(=O)C2=C(C1=O)C=C(C=C2)Br

Isomeric SMILES

COC(=O)CCCCCCNC(=O)CCCN1C(=O)C2=C(C1=O)C=C(C=C2)Br

InChI

InChI=1S/C20H25BrN2O5/c1-28-18(25)8-4-2-3-5-11-22-17(24)7-6-12-23-19(26)15-10-9-14(21)13-16(15)20(23)27/h9-10,13H,2-8,11-12H2,1H3,(H,22,24)