8-imidazol-1-yl-2,2-dimethyl-oct-6-ynoic acid

Systemtic Name: 8-imidazol-1-yl-2,2-dimethyl-oct-6-ynoic acid Openeye Name: 8-imidazol-1-yl-2,2-dimethyl-oct-6-ynoic acid CAS Name: 8-(1-imidazolyl)-2,2-dimethyl-6-octynoic acid IUPAC Name: 8-imidazol-1-yl-2,2-dimethyloct-6-ynoic acid Traditional Name: 8-imidazol-1-yl-2,2-dimethyl-oct-6-ynoic acid Formula: C13H18N2O2 MolecularWeight: 234.29422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCC#CCN1C=CN=C1)C(=O)O

Isomeric SMILES

CC(C)(CCCC#CCN1C=CN=C1)C(=O)O

InChI

InChI=1S/C13H18N2O2/c1-13(2,12(16)17)7-5-3-4-6-9-15-10-8-14-11-15/h8,10-11H,3,5,7,9H2,1-2H3,(H,16,17)