8-imidazol-1-yl-2-methyl-oct-6-ynoic acid

Systemtic Name: 8-imidazol-1-yl-2-methyl-oct-6-ynoic acid Openeye Name: 8-imidazol-1-yl-2-methyl-oct-6-ynoic acid CAS Name: 8-(1-imidazolyl)-2-methyl-6-octynoic acid IUPAC Name: 8-imidazol-1-yl-2-methyloct-6-ynoic acid Traditional Name: 8-imidazol-1-yl-2-methyl-oct-6-ynoic acid Formula: C12H16N2O2 MolecularWeight: 220.26764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O2/c1-11(12(15)16)6-4-2-3-5-8-14-9-7-13-10-14/h7,9-11H,2,4,6,8H2,1H3,(H,15,16)