(3aS,6R)-6,7-dimethyl-2-(phenylmethyl)-1,3,3a,6-tetrahydroisoindole

Systemtic Name: (3aS,6R)-6,7-dimethyl-2-(phenylmethyl)-1,3,3a,6-tetrahydroisoindole Openeye Name: (3aS,6R)-2-benzyl-6,7-dimethyl-1,3,3a,6-tetrahydroisoindole CAS Name: (3aS,6R)-6,7-dimethyl-2-(phenylmethyl)-1,3,3a,6-tetrahydroisoindole IUPAC Name: (3aS,6R)-2-benzyl-6,7-dimethyl-1,3,3a,6-tetrahydroisoindole Traditional Name: (3aS,6R)-2-benzyl-6,7-dimethyl-1,3,3a,6-tetrahydroisoindole Formula: C17H21N MolecularWeight: 239.35534

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CC2CN(CC2=C1C)CC3=CC=CC=C3

Isomeric SMILES

C[C@@H]1C=C[C@@H]2CN(CC2=C1C)CC3=CC=CC=C3

InChI

InChI=1S/C17H21N/c1-13-8-9-16-11-18(12-17(16)14(13)2)10-15-6-4-3-5-7-15/h3-9,13,16H,10-12H2,1-2H3/t13-,16-/m1/s1