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

Systemtic Name: methyl 4-[[4-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]butanoyl-methyl-amino]methyl]benzoate Openeye Name: methyl 4-[[4-(5-bromo-1,3-dioxo-isoindolin-2-yl)butanoyl-methyl-amino]methyl]benzoate CAS Name: 4-[[[4-(5-bromo-1,3-dioxo-2-isoindolyl)-1-oxobutyl]-methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(5-bromo-1,3-dioxoisoindol-2-yl)butanoyl-methylamino]methyl]benzoate Traditional Name: 4-[[4-(5-bromo-1,3-diketo-isoindolin-2-yl)butanoyl-methyl-amino]methyl]benzoic acid methyl ester Formula: C22H21BrN2O5 MolecularWeight: 473.31654

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)OC)C(=O)CCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)OC)C(=O)CCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C22H21BrN2O5/c1-24(13-14-5-7-15(8-6-14)22(29)30-2)19(26)4-3-11-25-20(27)17-10-9-16(23)12-18(17)21(25)28/h5-10,12H,3-4,11,13H2,1-2H3