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

Systemtic Name: sodium 4-[(R)-(5-imidazol-1-yl-2-methyl-phenyl)-oxidanyl-methyl]-3,5-dimethyl-benzoate dihydrate Openeye Name: sodium 4-[(R)-hydroxy-(5-imidazol-1-yl-2-methyl-phenyl)methyl]-3,5-dimethyl-benzoate dihydrate CAS Name: sodium 4-[(R)-hydroxy-[5-(1-imidazolyl)-2-methylphenyl]methyl]-3,5-dimethylbenzoate dihydrate IUPAC Name: sodium 4-[(R)-hydroxy-(5-imidazol-1-yl-2-methylphenyl)methyl]-3,5-dimethylbenzoate dihydrate Traditional Name: sodium 4-[(R)-hydroxy-(5-imidazol-1-yl-2-methyl-phenyl)methyl]-3,5-dimethyl-benzoate dihydrate Formula: C20H23N2NaO5 MolecularWeight: 394.39679

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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.O.O.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O3.Na.2H2O/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);;2*1H2/q;+1;;/p-1/t19-;;;/m1.../s1