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

Systemtic Name: methyl 4-[[4-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]butanoylamino]methyl]benzoate Openeye Name: methyl 4-[[4-(5-bromo-1,3-dioxo-isoindolin-2-yl)butanoylamino]methyl]benzoate CAS Name: 4-[[[4-(5-bromo-1,3-dioxo-2-isoindolyl)-1-oxobutyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(5-bromo-1,3-dioxoisoindol-2-yl)butanoylamino]methyl]benzoate Traditional Name: 4-[[4-(5-bromo-1,3-diketo-isoindolin-2-yl)butanoylamino]methyl]benzoic acid methyl ester Formula: C21H19BrN2O5 MolecularWeight: 459.28996

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C21H19BrN2O5/c1-29-21(28)14-6-4-13(5-7-14)12-23-18(25)3-2-10-24-19(26)16-9-8-15(22)11-17(16)20(24)27/h4-9,11H,2-3,10,12H2,1H3,(H,23,25)