8-imidazol-1-yl-2-phenyl-octanoic acid chloride

Systemtic Name: 8-imidazol-1-yl-2-phenyl-octanoic acid chloride Openeye Name: 8-imidazol-1-yl-2-phenyl-octanoic acid chloride CAS Name: 8-(1-imidazolyl)-2-phenyloctanoic acid chloride IUPAC Name: 8-imidazol-1-yl-2-phenyloctanoic acid chloride Traditional Name: 8-imidazol-1-yl-2-phenyl-caprylic acid chloride Formula: C17H22ClN2O2- MolecularWeight: 321.82178

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCCCCCN2C=CN=C2)C(=O)O.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C(CCCCCCN2C=CN=C2)C(=O)O.[Cl-]

InChI

InChI=1S/C17H22N2O2.ClH/c20-17(21)16(15-8-4-3-5-9-15)10-6-1-2-7-12-19-13-11-18-14-19;/h3-5,8-9,11,13-14,16H,1-2,6-7,10,12H2,(H,20,21);1H/p-1