(3R,3aR,7aS)-2-tert-butyl-3-phenyl-7a-(phenylmethyl)-3,3a-dihydroisoindol-1-one

Systemtic Name: (3R,3aR,7aS)-2-tert-butyl-3-phenyl-7a-(phenylmethyl)-3,3a-dihydroisoindol-1-one Openeye Name: (3R,3aR,7aS)-7a-benzyl-2-tert-butyl-3-phenyl-3,3a-dihydroisoindol-1-one CAS Name: (3R,3aR,7aS)-2-tert-butyl-3-phenyl-7a-(phenylmethyl)-3,3a-dihydroisoindol-1-one IUPAC Name: (3R,3aR,7aS)-7a-benzyl-2-tert-butyl-3-phenyl-3,3a-dihydroisoindol-1-one Traditional Name: (3R,3aR,7aS)-7a-benzyl-2-tert-butyl-3-phenyl-3,3a-dihydroisoindol-1-one Formula: C25H27NO MolecularWeight: 357.48798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(C2C=CC=CC2(C1=O)CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)N1[C@H]([C@@H]2C=CC=C[C@@]2(C1=O)CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H27NO/c1-24(2,3)26-22(20-14-8-5-9-15-20)21-16-10-11-17-25(21,23(26)27)18-19-12-6-4-7-13-19/h4-17,21-22H,18H2,1-3H3/t21-,22-,25+/m0/s1