4-[2-(3-methylbutyl)imidazol-1-yl]benzoic acid

Systemtic Name: 4-[2-(3-methylbutyl)imidazol-1-yl]benzoic acid Openeye Name: 4-(2-isopentylimidazol-1-yl)benzoic acid CAS Name: 4-[2-(3-methylbutyl)-1-imidazolyl]benzoic acid IUPAC Name: 4-[2-(3-methylbutyl)imidazol-1-yl]benzoic acid Traditional Name: 4-(2-isoamylimidazol-1-yl)benzoic acid Formula: C15H18N2O2 MolecularWeight: 258.31562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=NC=CN1C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)CCC1=NC=CN1C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H18N2O2/c1-11(2)3-8-14-16-9-10-17(14)13-6-4-12(5-7-13)15(18)19/h4-7,9-11H,3,8H2,1-2H3,(H,18,19)