3-[4-[[2-butyl-5-chloranyl-4-(methoxymethyl)imidazol-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 3-[4-[[2-butyl-5-chloranyl-4-(methoxymethyl)imidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 3-[4-[[2-butyl-5-chloro-4-(methoxymethyl)imidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 3-[4-[[2-butyl-5-chloro-4-(methoxymethyl)-1-imidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 3-[4-[[2-butyl-5-chloro-4-(methoxymethyl)imidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 3-[4-[[2-butyl-5-chloro-4-(methoxymethyl)imidazol-1-yl]methyl]phenyl]benzoic acid Formula: C23H25ClN2O3 MolecularWeight: 412.9092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC(=CC=C3)C(=O)O)Cl)COC

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC(=CC=C3)C(=O)O)Cl)COC

InChI

InChI=1S/C23H25ClN2O3/c1-3-4-8-21-25-20(15-29-2)22(24)26(21)14-16-9-11-17(12-10-16)18-6-5-7-19(13-18)23(27)28/h5-7,9-13H,3-4,8,14-15H2,1-2H3,(H,27,28)