4-[(2-chloranyl-5-imidazol-1-yl-phenyl)-oxidanyl-methyl]-3,5-dimethyl-benzoic acid

Systemtic Name: 4-[(2-chloranyl-5-imidazol-1-yl-phenyl)-oxidanyl-methyl]-3,5-dimethyl-benzoic acid Openeye Name: 4-[(2-chloro-5-imidazol-1-yl-phenyl)-hydroxy-methyl]-3,5-dimethyl-benzoic acid CAS Name: 4-[[2-chloro-5-(1-imidazolyl)phenyl]-hydroxymethyl]-3,5-dimethylbenzoic acid IUPAC Name: 4-[(2-chloro-5-imidazol-1-ylphenyl)-hydroxymethyl]-3,5-dimethylbenzoic acid Traditional Name: 4-[(2-chloro-5-imidazol-1-yl-phenyl)-hydroxy-methyl]-3,5-dimethyl-benzoic acid Formula: C19H17ClN2O3 MolecularWeight: 356.80288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C(C2=C(C=CC(=C2)N3C=CN=C3)Cl)O)C)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1C(C2=C(C=CC(=C2)N3C=CN=C3)Cl)O)C)C(=O)O

InChI

InChI=1S/C19H17ClN2O3/c1-11-7-13(19(24)25)8-12(2)17(11)18(23)15-9-14(3-4-16(15)20)22-6-5-21-10-22/h3-10,18,23H,1-2H3,(H,24,25)