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

Systemtic Name: (3R,3aR,6R)-2-tert-butyl-3-phenyl-6-prop-2-enyl-3a,6-dihydro-3H-isoindol-1-one Openeye Name: (3R,3aR,6R)-6-allyl-2-tert-butyl-3-phenyl-3a,6-dihydro-3H-isoindol-1-one CAS Name: (3R,3aR,6R)-2-tert-butyl-3-phenyl-6-prop-2-enyl-3a,6-dihydro-3H-isoindol-1-one IUPAC Name: (3R,3aR,6R)-2-tert-butyl-3-phenyl-6-prop-2-enyl-3a,6-dihydro-3H-isoindol-1-one Traditional Name: (3R,3aR,6R)-6-allyl-2-tert-butyl-3-phenyl-3a,6-dihydro-3H-isoindol-1-one Formula: C21H25NO MolecularWeight: 307.4293

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO/c1-5-9-15-12-13-17-18(14-15)20(23)22(21(2,3)4)19(17)16-10-7-6-8-11-16/h5-8,10-15,17,19H,1,9H2,2-4H3/t15-,17-,19+/m1/s1