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

Systemtic Name: 2-[4-[[4-(acetyloxymethyl)-2-butyl-5-chloranyl-imidazol-1-yl]methyl]phenyl]carbonylbenzoic acid Openeye Name: 2-[4-[[4-(acetoxymethyl)-2-butyl-5-chloro-imidazol-1-yl]methyl]benzoyl]benzoic acid CAS Name: 2-[[4-[[4-(acetyloxymethyl)-2-butyl-5-chloro-1-imidazolyl]methyl]phenyl]-oxomethyl]benzoic acid IUPAC Name: 2-[4-[[4-(acetyloxymethyl)-2-butyl-5-chloroimidazol-1-yl]methyl]benzoyl]benzoic acid Traditional Name: 2-[4-[[4-(acetoxymethyl)-2-butyl-5-chloro-imidazol-1-yl]methyl]benzoyl]benzoic acid Formula: C25H25ClN2O5 MolecularWeight: 468.9294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25ClN2O5/c1-3-4-9-22-27-21(15-33-16(2)29)24(26)28(22)14-17-10-12-18(13-11-17)23(30)19-7-5-6-8-20(19)25(31)32/h5-8,10-13H,3-4,9,14-15H2,1-2H3,(H,31,32)