4-[4-(5-cyano-2-ethyl-6-methyl-benzimidazol-1-yl)phenyl]-2-methyl-butanoate

Systemtic Name: 4-[4-(5-cyano-2-ethyl-6-methyl-benzimidazol-1-yl)phenyl]-2-methyl-butanoate Openeye Name: 4-[4-(5-cyano-2-ethyl-6-methyl-benzimidazol-1-yl)phenyl]-2-methyl-butanoate CAS Name: 4-[4-(5-cyano-2-ethyl-6-methyl-1-benzimidazolyl)phenyl]-2-methylbutanoate IUPAC Name: 4-[4-(5-cyano-2-ethyl-6-methylbenzimidazol-1-yl)phenyl]-2-methylbutanoate Traditional Name: 4-[4-(5-cyano-2-ethyl-6-methyl-benzimidazol-1-yl)phenyl]-2-methyl-butyrate Formula: C22H22N3O2- MolecularWeight: 360.42898

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1C3=CC=C(C=C3)CCC(C)C(=O)[O-])C=C(C(=C2)C#N)C

Isomeric SMILES

CCC1=NC2=C(N1C3=CC=C(C=C3)CCC(C)C(=O)[O-])C=C(C(=C2)C#N)C

InChI

InChI=1S/C22H23N3O2/c1-4-21-24-19-12-17(13-23)15(3)11-20(19)25(21)18-9-7-16(8-10-18)6-5-14(2)22(26)27/h7-12,14H,4-6H2,1-3H3,(H,26,27)/p-1