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

Systemtic Name: methyl 4-[(5-imidazol-1-yl-2-methyl-phenyl)-oxidanyl-methyl]-3,5-dimethyl-benzoate Openeye Name: methyl 4-[hydroxy-(5-imidazol-1-yl-2-methyl-phenyl)methyl]-3,5-dimethyl-benzoate CAS Name: 4-[hydroxy-[5-(1-imidazolyl)-2-methylphenyl]methyl]-3,5-dimethylbenzoic acid methyl ester IUPAC Name: methyl 4-[hydroxy-(5-imidazol-1-yl-2-methylphenyl)methyl]-3,5-dimethylbenzoate Traditional Name: 4-[hydroxy-(5-imidazol-1-yl-2-methyl-phenyl)methyl]-3,5-dimethyl-benzoic acid methyl ester Formula: C21H22N2O3 MolecularWeight: 350.41098

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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)OC)C)O

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3/c1-13-5-6-17(23-8-7-22-12-23)11-18(13)20(24)19-14(2)9-16(10-15(19)3)21(25)26-4/h5-12,20,24H,1-4H3