3-[4-[[4-(acetyloxymethyl)-2-butyl-5-chloranyl-imidazol-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 3-[4-[[4-(acetyloxymethyl)-2-butyl-5-chloranyl-imidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 3-[4-[[4-(acetoxymethyl)-2-butyl-5-chloro-imidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 3-[4-[[4-(acetyloxymethyl)-2-butyl-5-chloro-1-imidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 3-[4-[[4-(acetyloxymethyl)-2-butyl-5-chloroimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 3-[4-[[4-(acetoxymethyl)-2-butyl-5-chloro-imidazol-1-yl]methyl]phenyl]benzoic acid Formula: C24H25ClN2O4 MolecularWeight: 440.9193

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC(=CC=C3)C(=O)O)Cl)COC(=O)C

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC(=CC=C3)C(=O)O)Cl)COC(=O)C

InChI

InChI=1S/C24H25ClN2O4/c1-3-4-8-22-26-21(15-31-16(2)28)23(25)27(22)14-17-9-11-18(12-10-17)19-6-5-7-20(13-19)24(29)30/h5-7,9-13H,3-4,8,14-15H2,1-2H3,(H,29,30)