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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN2O4/c1-2-3-4-15-20-18(19)14(10-17(24)25)21(15)11-13-7-5-12(6-8-13)9-16(22)23/h5-8H,2-4,9-11H2,1H3,(H,22,23)(H,24,25)