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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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