2-[(2S)-3-(2-butylbenzimidazol-1-yl)-2-oxidanyl-propyl]isoindole-1,3-dione

Systemtic Name: 2-[(2S)-3-(2-butylbenzimidazol-1-yl)-2-oxidanyl-propyl]isoindole-1,3-dione Openeye Name: 2-[(2S)-3-(2-butylbenzimidazol-1-yl)-2-hydroxy-propyl]isoindoline-1,3-dione CAS Name: 2-[(2S)-3-(2-butyl-1-benzimidazolyl)-2-hydroxypropyl]isoindole-1,3-dione IUPAC Name: 2-[(2S)-3-(2-butylbenzimidazol-1-yl)-2-hydroxypropyl]isoindole-1,3-dione Traditional Name: 2-[(2S)-3-(2-butylbenzimidazol-1-yl)-2-hydroxy-propyl]isoindoline-1,3-quinone Formula: C22H23N3O3 MolecularWeight: 377.43632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC=C2N1CC(CN3C(=O)C4=CC=CC=C4C3=O)O

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2N1C[C@@H](CN3C(=O)C4=CC=CC=C4C3=O)O

InChI

InChI=1S/C22H23N3O3/c1-2-3-12-20-23-18-10-6-7-11-19(18)24(20)13-15(26)14-25-21(27)16-8-4-5-9-17(16)22(25)28/h4-11,15,26H,2-3,12-14H2,1H3/t15-/m0/s1