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

Systemtic Name: 2-[(5-imidazol-1-yl-2-methyl-phenyl)methyl]-3,5-dimethyl-4-oxidanyl-benzoate dihydrate Openeye Name: 4-hydroxy-2-[(5-imidazol-1-yl-2-methyl-phenyl)methyl]-3,5-dimethyl-benzoate dihydrate CAS Name: 4-hydroxy-2-[[5-(1-imidazolyl)-2-methylphenyl]methyl]-3,5-dimethylbenzoate dihydrate IUPAC Name: 4-hydroxy-2-[(5-imidazol-1-yl-2-methylphenyl)methyl]-3,5-dimethylbenzoate dihydrate Traditional Name: 4-hydroxy-2-(5-imidazol-1-yl-2-methyl-benzyl)-3,5-dimethyl-benzoate dihydrate Formula: C20H23N2O5- MolecularWeight: 371.40702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=CN=C2)CC3=C(C(=C(C=C3C(=O)[O-])C)O)C.O.O

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=CN=C2)CC3=C(C(=C(C=C3C(=O)[O-])C)O)C.O.O

InChI

InChI=1S/C20H20N2O3.2H2O/c1-12-4-5-16(22-7-6-21-11-22)9-15(12)10-17-14(3)19(23)13(2)8-18(17)20(24)25;;/h4-9,11,23H,10H2,1-3H3,(H,24,25);2*1H2/p-1