(3R,3aR,6R)-2-tert-butyl-3-phenyl-6-(phenylmethyl)-3a,6-dihydro-3H-isoindol-1-one

Systemtic Name: (3R,3aR,6R)-2-tert-butyl-3-phenyl-6-(phenylmethyl)-3a,6-dihydro-3H-isoindol-1-one Openeye Name: (3R,3aR,6R)-6-benzyl-2-tert-butyl-3-phenyl-3a,6-dihydro-3H-isoindol-1-one CAS Name: (3R,3aR,6R)-2-tert-butyl-3-phenyl-6-(phenylmethyl)-3a,6-dihydro-3H-isoindol-1-one IUPAC Name: (3R,3aR,6R)-6-benzyl-2-tert-butyl-3-phenyl-3a,6-dihydro-3H-isoindol-1-one Traditional Name: (3R,3aR,6R)-6-benzyl-2-tert-butyl-3-phenyl-3a,6-dihydro-3H-isoindol-1-one Formula: C25H27NO MolecularWeight: 357.48798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(C2C=CC(C=C2C1=O)CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)N1[C@H]([C@@H]2C=C[C@H](C=C2C1=O)CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H27NO/c1-25(2,3)26-23(20-12-8-5-9-13-20)21-15-14-19(17-22(21)24(26)27)16-18-10-6-4-7-11-18/h4-15,17,19,21,23H,16H2,1-3H3/t19-,21+,23-/m0/s1