2-(2-ethynyl-4-imidazol-1-yl-5-methyl-cyclohexa-1,3-dien-1-yl)ethanoic acid

Systemtic Name: 2-(2-ethynyl-4-imidazol-1-yl-5-methyl-cyclohexa-1,3-dien-1-yl)ethanoic acid Openeye Name: 2-(2-ethynyl-4-imidazol-1-yl-5-methyl-cyclohexa-1,3-dien-1-yl)acetic acid CAS Name: 2-[2-ethynyl-4-(1-imidazolyl)-5-methyl-1-cyclohexa-1,3-dienyl]acetic acid IUPAC Name: 2-(2-ethynyl-4-imidazol-1-yl-5-methylcyclohexa-1,3-dien-1-yl)acetic acid Traditional Name: 2-(2-ethynyl-4-imidazol-1-yl-5-methyl-cyclohexa-1,3-dien-1-yl)acetic acid Formula: C14H14N2O2 MolecularWeight: 242.27316

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=C(C=C1N2C=CN=C2)C#C)CC(=O)O

Isomeric SMILES

CC1CC(=C(C=C1N2C=CN=C2)C#C)CC(=O)O

InChI

InChI=1S/C14H14N2O2/c1-3-11-7-13(16-5-4-15-9-16)10(2)6-12(11)8-14(17)18/h1,4-5,7,9-10H,6,8H2,2H3,(H,17,18)