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

Systemtic Name: 5-[[2-butyl-5-[(2-carboxyphenoxy)methyl]-4-chloranyl-imidazol-1-yl]methyl]-2-phenyl-benzoic acid Openeye Name: 5-[[2-butyl-5-[(2-carboxyphenoxy)methyl]-4-chloro-imidazol-1-yl]methyl]-2-phenyl-benzoic acid CAS Name: 5-[[2-butyl-5-[(2-carboxyphenoxy)methyl]-4-chloro-1-imidazolyl]methyl]-2-phenylbenzoic acid IUPAC Name: 5-[[2-butyl-5-[(2-carboxyphenoxy)methyl]-4-chloroimidazol-1-yl]methyl]-2-phenylbenzoic acid Traditional Name: 5-[[2-butyl-5-[(2-carboxyphenoxy)methyl]-4-chloro-imidazol-1-yl]methyl]-2-phenyl-benzoic acid Formula: C29H27ClN2O5 MolecularWeight: 518.98808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC(=C(C=C2)C3=CC=CC=C3)C(=O)O)COC4=CC=CC=C4C(=O)O)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC(=C(C=C2)C3=CC=CC=C3)C(=O)O)COC4=CC=CC=C4C(=O)O)Cl

InChI

InChI=1S/C29H27ClN2O5/c1-2-3-13-26-31-27(30)24(18-37-25-12-8-7-11-22(25)28(33)34)32(26)17-19-14-15-21(23(16-19)29(35)36)20-9-5-4-6-10-20/h4-12,14-16H,2-3,13,17-18H2,1H3,(H,33,34)(H,35,36)