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

Systemtic Name: 2-[(2-chloranyl-5-imidazol-1-yl-phenyl)methyl]-3,5-dimethyl-4-oxidanyl-benzoic acid Openeye Name: 2-[(2-chloro-5-imidazol-1-yl-phenyl)methyl]-4-hydroxy-3,5-dimethyl-benzoic acid CAS Name: 2-[[2-chloro-5-(1-imidazolyl)phenyl]methyl]-4-hydroxy-3,5-dimethylbenzoic acid IUPAC Name: 2-[(2-chloro-5-imidazol-1-ylphenyl)methyl]-4-hydroxy-3,5-dimethylbenzoic acid Traditional Name: 2-(2-chloro-5-imidazol-1-yl-benzyl)-4-hydroxy-3,5-dimethyl-benzoic acid Formula: C19H17ClN2O3 MolecularWeight: 356.80288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1)C(=O)O)CC2=C(C=CC(=C2)N3C=CN=C3)Cl)C)O

Isomeric SMILES

CC1=C(C(=C(C(=C1)C(=O)O)CC2=C(C=CC(=C2)N3C=CN=C3)Cl)C)O

InChI

InChI=1S/C19H17ClN2O3/c1-11-7-16(19(24)25)15(12(2)18(11)23)9-13-8-14(3-4-17(13)20)22-6-5-21-10-22/h3-8,10,23H,9H2,1-2H3,(H,24,25)