2-[4-bromanyl-3-(2-oxidanylidenehexan-3-yloxy)phenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-[4-bromanyl-3-(2-oxidanylidenehexan-3-yloxy)phenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione Openeye Name: 2-[3-(1-acetylbutoxy)-4-bromo-phenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione CAS Name: 2-[4-bromo-3-(2-oxohexan-3-yloxy)phenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[4-bromo-3-(2-oxohexan-3-yloxy)phenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione Traditional Name: 2-[3-(1-acetylbutoxy)-4-bromo-phenyl]-4,5,6,7-tetrahydroisoindole-1,3-quinone Formula: C20H22BrNO4 MolecularWeight: 420.29698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)C)OC1=C(C=CC(=C1)N2C(=O)C3=C(C2=O)CCCC3)Br

Isomeric SMILES

CCCC(C(=O)C)OC1=C(C=CC(=C1)N2C(=O)C3=C(C2=O)CCCC3)Br

InChI

InChI=1S/C20H22BrNO4/c1-3-6-17(12(2)23)26-18-11-13(9-10-16(18)21)22-19(24)14-7-4-5-8-15(14)20(22)25/h9-11,17H,3-8H2,1-2H3