2-[(1S)-2-(4-chloranyl-2,6-dimethyl-phenoxy)-1-phenyl-ethyl]isoindole-1,3-dione

Systemtic Name: 2-[(1S)-2-(4-chloranyl-2,6-dimethyl-phenoxy)-1-phenyl-ethyl]isoindole-1,3-dione Openeye Name: 2-[(1S)-2-(4-chloro-2,6-dimethyl-phenoxy)-1-phenyl-ethyl]isoindoline-1,3-dione CAS Name: 2-[(1S)-2-(4-chloro-2,6-dimethylphenoxy)-1-phenylethyl]isoindole-1,3-dione IUPAC Name: 2-[(1S)-2-(4-chloro-2,6-dimethylphenoxy)-1-phenylethyl]isoindole-1,3-dione Traditional Name: 2-[(1S)-2-(4-chloro-2,6-dimethyl-phenoxy)-1-phenyl-ethyl]isoindoline-1,3-quinone Formula: C24H20ClNO3 MolecularWeight: 405.8735

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O)C)Cl

Isomeric SMILES

CC1=CC(=CC(=C1OC[C@H](C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O)C)Cl

InChI

InChI=1S/C24H20ClNO3/c1-15-12-18(25)13-16(2)22(15)29-14-21(17-8-4-3-5-9-17)26-23(27)19-10-6-7-11-20(19)24(26)28/h3-13,21H,14H2,1-2H3/t21-/m1/s1