4-(1-imidazol-1-ylbutyl)benzoic acid

Systemtic Name: 4-(1-imidazol-1-ylbutyl)benzoic acid Openeye Name: 4-(1-imidazol-1-ylbutyl)benzoic acid CAS Name: 4-[1-(1-imidazolyl)butyl]benzoic acid IUPAC Name: 4-(1-imidazol-1-ylbutyl)benzoic acid Traditional Name: 4-(1-imidazol-1-ylbutyl)benzoic acid Formula: C14H16N2O2 MolecularWeight: 244.28904

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=C(C=C1)C(=O)O)N2C=CN=C2

Isomeric SMILES

CCCC(C1=CC=C(C=C1)C(=O)O)N2C=CN=C2

InChI

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