2-[5-chloranyl-2-(1-oxidanylidene-1-phenyl-pentan-2-yl)oxy-phenyl]-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-[5-chloranyl-2-(1-oxidanylidene-1-phenyl-pentan-2-yl)oxy-phenyl]-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-[2-(1-benzoylbutoxy)-5-chloro-phenyl]-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-[5-chloro-2-(1-oxo-1-phenylpentan-2-yl)oxyphenyl]-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[5-chloro-2-(1-oxo-1-phenylpentan-2-yl)oxyphenyl]-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-[2-(1-benzoylbutoxy)-5-chloro-phenyl]-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C26H26ClNO4 MolecularWeight: 451.94194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)C1=CC=CC=C1)OC2=C(C=C(C=C2)Cl)N3C(=O)C4CC=C(CC4C3=O)C

Isomeric SMILES

CCCC(C(=O)C1=CC=CC=C1)OC2=C(C=C(C=C2)Cl)N3C(=O)C4CC=C(CC4C3=O)C

InChI

InChI=1S/C26H26ClNO4/c1-3-7-23(24(29)17-8-5-4-6-9-17)32-22-13-11-18(27)15-21(22)28-25(30)19-12-10-16(2)14-20(19)26(28)31/h4-6,8-11,13,15,19-20,23H,3,7,12,14H2,1-2H3