2-(5-chloranyl-2-methoxy-phenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

Systemtic Name: 2-(5-chloranyl-2-methoxy-phenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Openeye Name: 2-(5-chloro-2-methoxy-phenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione CAS Name: 2-(5-chloro-2-methoxyphenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione IUPAC Name: 2-(5-chloro-2-methoxyphenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Traditional Name: 2-(5-chloro-2-methoxy-phenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-quinone Formula: C21H20ClNO3 MolecularWeight: 369.8414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)N2C(=O)C3CCC(CC3C2=O)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)N2C(=O)C3CCC(CC3C2=O)C4=CC=CC=C4

InChI

InChI=1S/C21H20ClNO3/c1-26-19-10-8-15(22)12-18(19)23-20(24)16-9-7-14(11-17(16)21(23)25)13-5-3-2-4-6-13/h2-6,8,10,12,14,16-17H,7,9,11H2,1H3