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

Systemtic Name: (5-imidazol-1-yl-2-methyl-4-oxidanyl-phenyl)methyl 2-ethyl-3,5-dimethyl-benzoate Openeye Name: (4-hydroxy-5-imidazol-1-yl-2-methyl-phenyl)methyl 2-ethyl-3,5-dimethyl-benzoate CAS Name: 2-ethyl-3,5-dimethylbenzoic acid [4-hydroxy-5-(1-imidazolyl)-2-methylphenyl]methyl ester IUPAC Name: (4-hydroxy-5-imidazol-1-yl-2-methylphenyl)methyl 2-ethyl-3,5-dimethylbenzoate Traditional Name: 2-ethyl-3,5-dimethyl-benzoic acid (4-hydroxy-5-imidazol-1-yl-2-methyl-benzyl) ester Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1C(=O)OCC2=CC(=C(C=C2C)O)N3C=CN=C3)C)C

Isomeric SMILES

CCC1=C(C=C(C=C1C(=O)OCC2=CC(=C(C=C2C)O)N3C=CN=C3)C)C

InChI

InChI=1S/C22H24N2O3/c1-5-18-16(4)8-14(2)9-19(18)22(26)27-12-17-11-20(21(25)10-15(17)3)24-7-6-23-13-24/h6-11,13,25H,5,12H2,1-4H3