(3aS,4R,7aS)-4-methyl-2-(4-methylphenyl)-7a-oxidanyl-1,3,3a,4-tetrahydroisoindol-5-one

Systemtic Name: (3aS,4R,7aS)-4-methyl-2-(4-methylphenyl)-7a-oxidanyl-1,3,3a,4-tetrahydroisoindol-5-one Openeye Name: (3aS,4R,7aS)-7a-hydroxy-4-methyl-2-(p-tolyl)-1,3,3a,4-tetrahydroisoindol-5-one CAS Name: (3aS,4R,7aS)-7a-hydroxy-4-methyl-2-(4-methylphenyl)-1,3,3a,4-tetrahydroisoindol-5-one IUPAC Name: (3aS,4R,7aS)-7a-hydroxy-4-methyl-2-(4-methylphenyl)-1,3,3a,4-tetrahydroisoindol-5-one Traditional Name: (3aS,4R,7aS)-7a-hydroxy-4-methyl-2-(p-tolyl)-1,3,3a,4-tetrahydroisoindol-5-one Formula: C16H19NO2 MolecularWeight: 257.32756

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2CN(CC2(C=CC1=O)O)C3=CC=C(C=C3)C

Isomeric SMILES

C[C@@H]1[C@H]2CN(C[C@@]2(C=CC1=O)O)C3=CC=C(C=C3)C

InChI

InChI=1S/C16H19NO2/c1-11-3-5-13(6-4-11)17-9-14-12(2)15(18)7-8-16(14,19)10-17/h3-8,12,14,19H,9-10H2,1-2H3/t12-,14-,16-/m1/s1