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

Systemtic Name: 5-[[2-butyl-5-[(2-carboxyphenyl)methoxymethyl]-4-chloranyl-imidazol-1-yl]methyl]-2-phenyl-benzoic acid Openeye Name: 5-[[2-butyl-5-[(2-carboxyphenyl)methoxymethyl]-4-chloro-imidazol-1-yl]methyl]-2-phenyl-benzoic acid CAS Name: 5-[[2-butyl-5-[(2-carboxyphenyl)methoxymethyl]-4-chloro-1-imidazolyl]methyl]-2-phenylbenzoic acid IUPAC Name: 5-[[2-butyl-5-[(2-carboxyphenyl)methoxymethyl]-4-chloroimidazol-1-yl]methyl]-2-phenylbenzoic acid Traditional Name: 5-[[2-butyl-5-[(2-carboxybenzyl)oxymethyl]-4-chloro-imidazol-1-yl]methyl]-2-phenyl-benzoic acid Formula: C30H29ClN2O5 MolecularWeight: 533.01466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC(=C(C=C2)C3=CC=CC=C3)C(=O)O)COCC4=CC=CC=C4C(=O)O)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC(=C(C=C2)C3=CC=CC=C3)C(=O)O)COCC4=CC=CC=C4C(=O)O)Cl

InChI

InChI=1S/C30H29ClN2O5/c1-2-3-13-27-32-28(31)26(19-38-18-22-11-7-8-12-24(22)29(34)35)33(27)17-20-14-15-23(25(16-20)30(36)37)21-9-5-4-6-10-21/h4-12,14-16H,2-3,13,17-19H2,1H3,(H,34,35)(H,36,37)