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

Systemtic Name: 4-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide Openeye Name: 4-(5-bromo-1,3-dioxo-isoindolin-2-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide CAS Name: 4-(5-bromo-1,3-dioxo-2-isoindolyl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide IUPAC Name: 4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide Traditional Name: 4-(5-bromo-1,3-diketo-isoindolin-2-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]butyramide Formula: C22H23BrN2O4 MolecularWeight: 459.33302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCN(C)C(=O)CCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

CC1=CC=CC=C1OCCN(C)C(=O)CCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C22H23BrN2O4/c1-15-6-3-4-7-19(15)29-13-12-24(2)20(26)8-5-11-25-21(27)17-10-9-16(23)14-18(17)22(25)28/h3-4,6-7,9-10,14H,5,8,11-13H2,1-2H3