(E)-8-imidazol-1-yl-4,4-dimethyl-oct-2-enoic acid

Systemtic Name: (E)-8-imidazol-1-yl-4,4-dimethyl-oct-2-enoic acid Openeye Name: (E)-8-imidazol-1-yl-4,4-dimethyl-oct-2-enoic acid CAS Name: (E)-8-(1-imidazolyl)-4,4-dimethyl-2-octenoic acid IUPAC Name: (E)-8-imidazol-1-yl-4,4-dimethyloct-2-enoic acid Traditional Name: (E)-8-imidazol-1-yl-4,4-dimethyl-oct-2-enoic acid Formula: C13H20N2O2 MolecularWeight: 236.3101

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCN1C=CN=C1)C=CC(=O)O

Isomeric SMILES

CC(C)(CCCCN1C=CN=C1)/C=C/C(=O)O

InChI

InChI=1S/C13H20N2O2/c1-13(2,7-5-12(16)17)6-3-4-9-15-10-8-14-11-15/h5,7-8,10-11H,3-4,6,9H2,1-2H3,(H,16,17)/b7-5+