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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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