3,3-dimethyl-5-oxidanylidene-5-[(1-phenethylbenzimidazol-5-yl)amino]pentanoic acid

Systemtic Name: 3,3-dimethyl-5-oxidanylidene-5-[(1-phenethylbenzimidazol-5-yl)amino]pentanoic acid Openeye Name: 3,3-dimethyl-5-oxo-5-[(1-phenethylbenzimidazol-5-yl)amino]pentanoic acid CAS Name: 3,3-dimethyl-5-oxo-5-[(1-phenethyl-5-benzimidazolyl)amino]pentanoic acid IUPAC Name: 3,3-dimethyl-5-oxo-5-[(1-phenethylbenzimidazol-5-yl)amino]pentanoic acid Traditional Name: 5-keto-3,3-dimethyl-5-[(1-phenethylbenzimidazol-5-yl)amino]valeric acid Formula: C22H25N3O3 MolecularWeight: 379.4522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)NC1=CC2=C(C=C1)N(C=N2)CCC3=CC=CC=C3)CC(=O)O

Isomeric SMILES

CC(C)(CC(=O)NC1=CC2=C(C=C1)N(C=N2)CCC3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C22H25N3O3/c1-22(2,14-21(27)28)13-20(26)24-17-8-9-19-18(12-17)23-15-25(19)11-10-16-6-4-3-5-7-16/h3-9,12,15H,10-11,13-14H2,1-2H3,(H,24,26)(H,27,28)