4-[2-(4-imidazol-1-ylphenyl)carbonyl-4-methyl-phenoxy]butanoic acid

Systemtic Name: 4-[2-(4-imidazol-1-ylphenyl)carbonyl-4-methyl-phenoxy]butanoic acid Openeye Name: 4-[2-(4-imidazol-1-ylbenzoyl)-4-methyl-phenoxy]butanoic acid CAS Name: 4-[2-[[4-(1-imidazolyl)phenyl]-oxomethyl]-4-methylphenoxy]butanoic acid IUPAC Name: 4-[2-(4-imidazol-1-ylbenzoyl)-4-methylphenoxy]butanoic acid Traditional Name: 4-[2-(4-imidazol-1-ylbenzoyl)-4-methyl-phenoxy]butyric acid Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O4/c1-15-4-9-19(27-12-2-3-20(24)25)18(13-15)21(26)16-5-7-17(8-6-16)23-11-10-22-14-23/h4-11,13-14H,2-3,12H2,1H3,(H,24,25)