(3aR,7S,7aR)-5-bromanyl-7-chloranyl-3a-methyl-7a-oxidanyl-2-(phenylmethyl)-4,7-dihydro-3H-isoindol-1-one

Systemtic Name: (3aR,7S,7aR)-5-bromanyl-7-chloranyl-3a-methyl-7a-oxidanyl-2-(phenylmethyl)-4,7-dihydro-3H-isoindol-1-one Openeye Name: (3aR,7S,7aR)-2-benzyl-5-bromo-7-chloro-7a-hydroxy-3a-methyl-4,7-dihydro-3H-isoindol-1-one CAS Name: (3aR,7S,7aR)-5-bromo-7-chloro-7a-hydroxy-3a-methyl-2-(phenylmethyl)-4,7-dihydro-3H-isoindol-1-one IUPAC Name: (3aR,7S,7aR)-2-benzyl-5-bromo-7-chloro-7a-hydroxy-3a-methyl-4,7-dihydro-3H-isoindol-1-one Traditional Name: (3aR,7S,7aR)-2-benzyl-5-bromo-7-chloro-7a-hydroxy-3a-methyl-4,7-dihydro-3H-isoindol-1-one Formula: C16H17BrClNO2 MolecularWeight: 370.66868

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(=CC(C1(C(=O)N(C2)CC3=CC=CC=C3)O)Cl)Br

Isomeric SMILES

C[C@]12CC(=C[C@@H]([C@@]1(C(=O)N(C2)CC3=CC=CC=C3)O)Cl)Br

InChI

InChI=1S/C16H17BrClNO2/c1-15-8-12(17)7-13(18)16(15,21)14(20)19(10-15)9-11-5-3-2-4-6-11/h2-7,13,21H,8-10H2,1H3/t13-,15+,16-/m0/s1