(5-imidazol-1-yl-2-methyl-4-oxidanyl-phenyl)methyl 2,3,5-trimethylbenzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(=O)OCC2=CC(=C(C=C2C)O)N3C=CN=C3)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C(=O)OCC2=CC(=C(C=C2C)O)N3C=CN=C3)C)C

InChI

InChI=1S/C21H22N2O3/c1-13-7-14(2)16(4)18(8-13)21(25)26-11-17-10-19(20(24)9-15(17)3)23-6-5-22-12-23/h5-10,12,24H,11H2,1-4H3