(3aS,7aS)-2-(4-cyclohexylphenyl)-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: (3aS,7aS)-2-(4-cyclohexylphenyl)-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: (3aS,7aS)-2-(4-cyclohexylphenyl)-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: (3aS,7aS)-2-(4-cyclohexylphenyl)-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: (3aS,7aS)-2-(4-cyclohexylphenyl)-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: (3aS,7aS)-2-(4-cyclohexylphenyl)-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C21H25NO2 MolecularWeight: 323.4287

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)C4CCCCC4

Isomeric SMILES

CC1=CC[C@H]2[C@H](C1)C(=O)N(C2=O)C3=CC=C(C=C3)C4CCCCC4

InChI

InChI=1S/C21H25NO2/c1-14-7-12-18-19(13-14)21(24)22(20(18)23)17-10-8-16(9-11-17)15-5-3-2-4-6-15/h7-11,15,18-19H,2-6,12-13H2,1H3/t18-,19-/m0/s1