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

Systemtic Name: (3R,3aR)-2-tert-butyl-3-phenyl-3a,6-dihydro-3H-isoindol-1-one Openeye Name: (3R,3aR)-2-tert-butyl-3-phenyl-3a,6-dihydro-3H-isoindol-1-one CAS Name: (3R,3aR)-2-tert-butyl-3-phenyl-3a,6-dihydro-3H-isoindol-1-one IUPAC Name: (3R,3aR)-2-tert-butyl-3-phenyl-3a,6-dihydro-3H-isoindol-1-one Traditional Name: (3R,3aR)-2-tert-butyl-3-phenyl-3a,6-dihydro-3H-isoindol-1-one Formula: C18H21NO MolecularWeight: 267.36544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO/c1-18(2,3)19-16(13-9-5-4-6-10-13)14-11-7-8-12-15(14)17(19)20/h4-7,9-12,14,16H,8H2,1-3H3/t14-,16+/m1/s1