(3aR,5R,7aS)-5-methyl-2-[4-(2-phenylphenoxy)phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

Systemtic Name: (3aR,5R,7aS)-5-methyl-2-[4-(2-phenylphenoxy)phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Openeye Name: (3aR,5R,7aS)-5-methyl-2-[4-(2-phenylphenoxy)phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione CAS Name: (3aR,5R,7aS)-5-methyl-2-[4-(2-phenylphenoxy)phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione IUPAC Name: (3aR,5R,7aS)-5-methyl-2-[4-(2-phenylphenoxy)phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Traditional Name: (3aR,5R,7aS)-5-methyl-2-[4-(2-phenylphenoxy)phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-quinone Formula: C27H25NO3 MolecularWeight: 411.4923

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4C5=CC=CC=C5

Isomeric SMILES

C[C@@H]1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4C5=CC=CC=C5

InChI

InChI=1S/C27H25NO3/c1-18-11-16-23-24(17-18)27(30)28(26(23)29)20-12-14-21(15-13-20)31-25-10-6-5-9-22(25)19-7-3-2-4-8-19/h2-10,12-15,18,23-24H,11,16-17H2,1H3/t18-,23+,24-/m1/s1