2-butyl-3-imidazol-1-yl-benzoic acid

Systemtic Name: 2-butyl-3-imidazol-1-yl-benzoic acid Openeye Name: 2-butyl-3-imidazol-1-yl-benzoic acid CAS Name: 2-butyl-3-(1-imidazolyl)benzoic acid IUPAC Name: 2-butyl-3-imidazol-1-ylbenzoic acid Traditional Name: 2-butyl-3-imidazol-1-yl-benzoic acid Formula: C14H16N2O2 MolecularWeight: 244.28904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC=C1N2C=CN=C2)C(=O)O

Isomeric SMILES

CCCCC1=C(C=CC=C1N2C=CN=C2)C(=O)O

InChI

InChI=1S/C14H16N2O2/c1-2-3-5-11-12(14(17)18)6-4-7-13(11)16-9-8-15-10-16/h4,6-10H,2-3,5H2,1H3,(H,17,18)