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

Systemtic Name: 4-[[2-butyl-5-(carboxymethyl)-4-chloranyl-imidazol-1-yl]methyl]benzoic acid Openeye Name: 4-[[2-butyl-5-(carboxymethyl)-4-chloro-imidazol-1-yl]methyl]benzoic acid CAS Name: 4-[[2-butyl-5-(carboxymethyl)-4-chloro-1-imidazolyl]methyl]benzoic acid IUPAC Name: 4-[[2-butyl-5-(carboxymethyl)-4-chloroimidazol-1-yl]methyl]benzoic acid Traditional Name: 4-[[2-butyl-5-(carboxymethyl)-4-chloro-imidazol-1-yl]methyl]benzoic acid Formula: C17H19ClN2O4 MolecularWeight: 350.79676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN2O4/c1-2-3-4-14-19-16(18)13(9-15(21)22)20(14)10-11-5-7-12(8-6-11)17(23)24/h5-8H,2-4,9-10H2,1H3,(H,21,22)(H,23,24)