2-[1-[4-[2-methyl-4-(3-methylbutanoyl)-3-oxidanyl-phenoxy]butyl]benzimidazol-2-yl]ethanenitrile

Systemtic Name: 2-[1-[4-[2-methyl-4-(3-methylbutanoyl)-3-oxidanyl-phenoxy]butyl]benzimidazol-2-yl]ethanenitrile Openeye Name: 2-[1-[4-[3-hydroxy-2-methyl-4-(3-methylbutanoyl)phenoxy]butyl]benzimidazol-2-yl]acetonitrile CAS Name: 2-[1-[4-[3-hydroxy-2-methyl-4-(3-methyl-1-oxobutyl)phenoxy]butyl]-2-benzimidazolyl]acetonitrile IUPAC Name: 2-[1-[4-[3-hydroxy-2-methyl-4-(3-methylbutanoyl)phenoxy]butyl]benzimidazol-2-yl]acetonitrile Traditional Name: 2-[1-[4-(3-hydroxy-4-isovaleryl-2-methyl-phenoxy)butyl]benzimidazol-2-yl]acetonitrile Formula: C25H29N3O3 MolecularWeight: 419.51606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1O)C(=O)CC(C)C)OCCCCN2C3=CC=CC=C3N=C2CC#N

Isomeric SMILES

CC1=C(C=CC(=C1O)C(=O)CC(C)C)OCCCCN2C3=CC=CC=C3N=C2CC#N

InChI

InChI=1S/C25H29N3O3/c1-17(2)16-22(29)19-10-11-23(18(3)25(19)30)31-15-7-6-14-28-21-9-5-4-8-20(21)27-24(28)12-13-26/h4-5,8-11,17,30H,6-7,12,14-16H2,1-3H3