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

Systemtic Name: 2-[4-[[5-(acetyloxymethyl)-2-butyl-4-chloranyl-imidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[5-(acetoxymethyl)-2-butyl-4-chloro-imidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[5-(acetyloxymethyl)-2-butyl-4-chloro-1-imidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[5-(acetyloxymethyl)-2-butyl-4-chloroimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[5-(acetoxymethyl)-2-butyl-4-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=C3C(=O)O)COC(=O)C)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)COC(=O)C)Cl

InChI

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