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

Systemtic Name: (3R,3aR,7aS)-2-tert-butyl-3-phenyl-7a-prop-2-enyl-3,3a-dihydroisoindol-1-one Openeye Name: (3R,3aR,7aS)-7a-allyl-2-tert-butyl-3-phenyl-3,3a-dihydroisoindol-1-one CAS Name: (3R,3aR,7aS)-2-tert-butyl-3-phenyl-7a-prop-2-enyl-3,3a-dihydroisoindol-1-one IUPAC Name: (3R,3aR,7aS)-2-tert-butyl-3-phenyl-7a-prop-2-enyl-3,3a-dihydroisoindol-1-one Traditional Name: (3R,3aR,7aS)-7a-allyl-2-tert-butyl-3-phenyl-3,3a-dihydroisoindol-1-one Formula: C21H25NO MolecularWeight: 307.4293

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO/c1-5-14-21-15-10-9-13-17(21)18(16-11-7-6-8-12-16)22(19(21)23)20(2,3)4/h5-13,15,17-18H,1,14H2,2-4H3/t17-,18-,21-/m0/s1