4-[5-cyano-1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]-3,3-dimethyl-butanoic acid

Systemtic Name: 4-[5-cyano-1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]-3,3-dimethyl-butanoic acid Openeye Name: 4-[5-cyano-1-(1-naphthylmethyl)benzimidazol-2-yl]-3,3-dimethyl-butanoic acid CAS Name: 4-[5-cyano-1-(1-naphthalenylmethyl)-2-benzimidazolyl]-3,3-dimethylbutanoic acid IUPAC Name: 4-[5-cyano-1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]-3,3-dimethylbutanoic acid Traditional Name: 4-[5-cyano-1-(1-naphthylmethyl)benzimidazol-2-yl]-3,3-dimethyl-butyric acid Formula: C25H23N3O2 MolecularWeight: 397.46902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=NC2=C(N1CC3=CC=CC4=CC=CC=C43)C=CC(=C2)C#N)CC(=O)O

Isomeric SMILES

CC(C)(CC1=NC2=C(N1CC3=CC=CC4=CC=CC=C43)C=CC(=C2)C#N)CC(=O)O

InChI

InChI=1S/C25H23N3O2/c1-25(2,14-24(29)30)13-23-27-21-12-17(15-26)10-11-22(21)28(23)16-19-8-5-7-18-6-3-4-9-20(18)19/h3-12H,13-14,16H2,1-2H3,(H,29,30)