(3aR,7aS)-5-hexyl-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: (3aR,7aS)-5-hexyl-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: (3aR,7aS)-5-hexyl-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: (3aR,7aS)-5-hexyl-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: (3aR,7aS)-5-hexyl-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: (3aR,7aS)-5-hexyl-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C20H25NO2 MolecularWeight: 311.418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CCC2C(C1)C(=O)N(C2=O)C3=CC=CC=C3

Isomeric SMILES

CCCCCCC1=CC[C@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC=CC=C3

InChI

InChI=1S/C20H25NO2/c1-2-3-4-6-9-15-12-13-17-18(14-15)20(23)21(19(17)22)16-10-7-5-8-11-16/h5,7-8,10-12,17-18H,2-4,6,9,13-14H2,1H3/t17-,18+/m0/s1