5-[(1-butyl-5-chloranyl-imidazol-4-yl)carbonyloxymethyl]-2-phenyl-benzoic acid

Systemtic Name: 5-[(1-butyl-5-chloranyl-imidazol-4-yl)carbonyloxymethyl]-2-phenyl-benzoic acid Openeye Name: 5-[(1-butyl-5-chloro-imidazole-4-carbonyl)oxymethyl]-2-phenyl-benzoic acid CAS Name: 5-[[(1-butyl-5-chloro-4-imidazolyl)-oxomethoxy]methyl]-2-phenylbenzoic acid IUPAC Name: 5-[(1-butyl-5-chloroimidazole-4-carbonyl)oxymethyl]-2-phenylbenzoic acid Traditional Name: 5-[(1-butyl-5-chloro-imidazole-4-carbonyl)oxymethyl]-2-phenyl-benzoic acid Formula: C22H21ClN2O4 MolecularWeight: 412.86614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC(=C1Cl)C(=O)OCC2=CC(=C(C=C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCN1C=NC(=C1Cl)C(=O)OCC2=CC(=C(C=C2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H21ClN2O4/c1-2-3-11-25-14-24-19(20(25)23)22(28)29-13-15-9-10-17(18(12-15)21(26)27)16-7-5-4-6-8-16/h4-10,12,14H,2-3,11,13H2,1H3,(H,26,27)