(E)-6-(4-imidazol-1-ylphenyl)-3-methyl-4-oxidanylidene-hex-5-enoic acid

Systemtic Name: (E)-6-(4-imidazol-1-ylphenyl)-3-methyl-4-oxidanylidene-hex-5-enoic acid Openeye Name: (E)-6-(4-imidazol-1-ylphenyl)-3-methyl-4-oxo-hex-5-enoic acid CAS Name: (E)-6-[4-(1-imidazolyl)phenyl]-3-methyl-4-oxo-5-hexenoic acid IUPAC Name: (E)-6-(4-imidazol-1-ylphenyl)-3-methyl-4-oxohex-5-enoic acid Traditional Name: (E)-6-(4-imidazol-1-ylphenyl)-4-keto-3-methyl-hex-5-enoic acid Formula: C16H16N2O3 MolecularWeight: 284.30984

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)C(=O)C=CC1=CC=C(C=C1)N2C=CN=C2

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O3/c1-12(10-16(20)21)15(19)7-4-13-2-5-14(6-3-13)18-9-8-17-11-18/h2-9,11-12H,10H2,1H3,(H,20,21)/b7-4+