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

Systemtic Name: 4-[(5-imidazol-1-yl-2-methyl-phenyl)-oxidanyl-methyl]-3,5-dimethyl-benzoic acid; methanesulfonic acid Openeye Name: 4-[hydroxy-(5-imidazol-1-yl-2-methyl-phenyl)methyl]-3,5-dimethyl-benzoic acid; methanesulfonic acid CAS Name: 4-[hydroxy-[5-(1-imidazolyl)-2-methylphenyl]methyl]-3,5-dimethylbenzoic acid; methanesulfonic acid IUPAC Name: 4-[hydroxy-(5-imidazol-1-yl-2-methylphenyl)methyl]-3,5-dimethylbenzoic acid; methanesulfonic acid Traditional Name: 4-[hydroxy-(5-imidazol-1-yl-2-methyl-phenyl)methyl]-3,5-dimethyl-benzoic acid; mesylic acid Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=CN=C2)C(C3=C(C=C(C=C3C)C(=O)O)C)O.CS(=O)(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=CN=C2)C(C3=C(C=C(C=C3C)C(=O)O)C)O.CS(=O)(=O)O

InChI

InChI=1S/C20H20N2O3.CH4O3S/c1-12-4-5-16(22-7-6-21-11-22)10-17(12)19(23)18-13(2)8-15(20(24)25)9-14(18)3;1-5(2,3)4/h4-11,19,23H,1-3H3,(H,24,25);1H3,(H,2,3,4)