2-(4-chloranyl-2-fluoranyl-5-phenylmethoxy-phenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-(4-chloranyl-2-fluoranyl-5-phenylmethoxy-phenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione Openeye Name: 2-(5-benzyloxy-4-chloro-2-fluoro-phenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione CAS Name: 2-(4-chloro-2-fluoro-5-phenylmethoxyphenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione IUPAC Name: 2-(4-chloro-2-fluoro-5-phenylmethoxyphenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione Traditional Name: 2-(5-benzoxy-4-chloro-2-fluoro-phenyl)-4,5,6,7-tetrahydroisoindole-1,3-quinone Formula: C21H17ClFNO3 MolecularWeight: 385.815983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=O)N(C2=O)C3=CC(=C(C=C3F)Cl)OCC4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C(=O)N(C2=O)C3=CC(=C(C=C3F)Cl)OCC4=CC=CC=C4

InChI

InChI=1S/C21H17ClFNO3/c22-16-10-17(23)18(11-19(16)27-12-13-6-2-1-3-7-13)24-20(25)14-8-4-5-9-15(14)21(24)26/h1-3,6-7,10-11H,4-5,8-9,12H2