4-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-N-[(2,3-dimethoxyphenyl)methyl]butanamide

Systemtic Name: 4-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-N-[(2,3-dimethoxyphenyl)methyl]butanamide Openeye Name: 4-(5-bromo-1,3-dioxo-isoindolin-2-yl)-N-[(2,3-dimethoxyphenyl)methyl]butanamide CAS Name: 4-(5-bromo-1,3-dioxo-2-isoindolyl)-N-[(2,3-dimethoxyphenyl)methyl]butanamide IUPAC Name: 4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[(2,3-dimethoxyphenyl)methyl]butanamide Traditional Name: 4-(5-bromo-1,3-diketo-isoindolin-2-yl)-N-o-veratryl-butyramide Formula: C21H21BrN2O5 MolecularWeight: 461.30584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CNC(=O)CCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

COC1=CC=CC(=C1OC)CNC(=O)CCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C21H21BrN2O5/c1-28-17-6-3-5-13(19(17)29-2)12-23-18(25)7-4-10-24-20(26)15-9-8-14(22)11-16(15)21(24)27/h3,5-6,8-9,11H,4,7,10,12H2,1-2H3,(H,23,25)