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

Systemtic Name: 2-[(5-imidazol-1-yl-2-methoxy-phenyl)methyl]-3,5-dimethyl-4-oxidanyl-benzoic acid Openeye Name: 4-hydroxy-2-[(5-imidazol-1-yl-2-methoxy-phenyl)methyl]-3,5-dimethyl-benzoic acid CAS Name: 4-hydroxy-2-[[5-(1-imidazolyl)-2-methoxyphenyl]methyl]-3,5-dimethylbenzoic acid IUPAC Name: 4-hydroxy-2-[(5-imidazol-1-yl-2-methoxyphenyl)methyl]-3,5-dimethylbenzoic acid Traditional Name: 4-hydroxy-2-(5-imidazol-1-yl-2-methoxy-benzyl)-3,5-dimethyl-benzoic acid Formula: C20H20N2O4 MolecularWeight: 352.3838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1)C(=O)O)CC2=C(C=CC(=C2)N3C=CN=C3)OC)C)O

Isomeric SMILES

CC1=C(C(=C(C(=C1)C(=O)O)CC2=C(C=CC(=C2)N3C=CN=C3)OC)C)O

InChI

InChI=1S/C20H20N2O4/c1-12-8-17(20(24)25)16(13(2)19(12)23)10-14-9-15(4-5-18(14)26-3)22-7-6-21-11-22/h4-9,11,23H,10H2,1-3H3,(H,24,25)