sodium 4-[(5-imidazol-1-yl-2-methyl-phenyl)-oxidanyl-methyl]-3,5-dimethyl-benzoate

Systemtic Name: sodium 4-[(5-imidazol-1-yl-2-methyl-phenyl)-oxidanyl-methyl]-3,5-dimethyl-benzoate Openeye Name: sodium 4-[hydroxy-(5-imidazol-1-yl-2-methyl-phenyl)methyl]-3,5-dimethyl-benzoate CAS Name: sodium 4-[hydroxy-[5-(1-imidazolyl)-2-methylphenyl]methyl]-3,5-dimethylbenzoate IUPAC Name: sodium 4-[hydroxy-(5-imidazol-1-yl-2-methylphenyl)methyl]-3,5-dimethylbenzoate Traditional Name: sodium 4-[hydroxy-(5-imidazol-1-yl-2-methyl-phenyl)methyl]-3,5-dimethyl-benzoate Formula: C20H19N2NaO3 MolecularWeight: 358.36623

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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.[Na+]

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=CN=C2)C(C3=C(C=C(C=C3C)C(=O)[O-])C)O.[Na+]

InChI

InChI=1S/C20H20N2O3.Na/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;/h4-11,19,23H,1-3H3,(H,24,25);/q;+1/p-1