2-[4-[(2-butyl-5-cyano-4-ethanoyl-imidazol-1-yl)methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[(2-butyl-5-cyano-4-ethanoyl-imidazol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(4-acetyl-2-butyl-5-cyano-imidazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(4-acetyl-2-butyl-5-cyano-1-imidazolyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(4-acetyl-2-butyl-5-cyanoimidazol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(4-acetyl-2-butyl-5-cyano-imidazol-1-yl)methyl]phenyl]benzoic acid Formula: C24H23N3O3 MolecularWeight: 401.45772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C#N)C(=O)C

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C#N)C(=O)C

InChI

InChI=1S/C24H23N3O3/c1-3-4-9-22-26-23(16(2)28)21(14-25)27(22)15-17-10-12-18(13-11-17)19-7-5-6-8-20(19)24(29)30/h5-8,10-13H,3-4,9,15H2,1-2H3,(H,29,30)