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

Systemtic Name: 4-[[5-(acetyloxymethyl)-2-butyl-4-chloranyl-imidazol-1-yl]methyl]benzoic acid Openeye Name: 4-[[5-(acetoxymethyl)-2-butyl-4-chloro-imidazol-1-yl]methyl]benzoic acid CAS Name: 4-[[5-(acetyloxymethyl)-2-butyl-4-chloro-1-imidazolyl]methyl]benzoic acid IUPAC Name: 4-[[5-(acetyloxymethyl)-2-butyl-4-chloroimidazol-1-yl]methyl]benzoic acid Traditional Name: 4-[[5-(acetoxymethyl)-2-butyl-4-chloro-imidazol-1-yl]methyl]benzoic acid Formula: C18H21ClN2O4 MolecularWeight: 364.82334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN2O4/c1-3-4-5-16-20-17(19)15(11-25-12(2)22)21(16)10-13-6-8-14(9-7-13)18(23)24/h6-9H,3-5,10-11H2,1-2H3,(H,23,24)