4-(4-imidazol-1-ylphenyl)-3-methyl-5-oxidanylidene-hexanoic acid

Systemtic Name: 4-(4-imidazol-1-ylphenyl)-3-methyl-5-oxidanylidene-hexanoic acid Openeye Name: 4-(4-imidazol-1-ylphenyl)-3-methyl-5-oxo-hexanoic acid CAS Name: 4-[4-(1-imidazolyl)phenyl]-3-methyl-5-oxohexanoic acid IUPAC Name: 4-(4-imidazol-1-ylphenyl)-3-methyl-5-oxohexanoic acid Traditional Name: 4-(4-imidazol-1-ylphenyl)-5-keto-3-methyl-hexanoic acid Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)C(C1=CC=C(C=C1)N2C=CN=C2)C(=O)C

Isomeric SMILES

CC(CC(=O)O)C(C1=CC=C(C=C1)N2C=CN=C2)C(=O)C

InChI

InChI=1S/C16H18N2O3/c1-11(9-15(20)21)16(12(2)19)13-3-5-14(6-4-13)18-8-7-17-10-18/h3-8,10-11,16H,9H2,1-2H3,(H,20,21)