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

Systemtic Name: 5-[[2-butyl-5-[(4-carboxyphenoxy)methoxymethyl]-4-chloranyl-imidazol-1-yl]methyl]-2-phenyl-benzoic acid Openeye Name: 5-[[2-butyl-5-[(4-carboxyphenoxy)methoxymethyl]-4-chloro-imidazol-1-yl]methyl]-2-phenyl-benzoic acid CAS Name: 5-[[2-butyl-5-[(4-carboxyphenoxy)methoxymethyl]-4-chloro-1-imidazolyl]methyl]-2-phenylbenzoic acid IUPAC Name: 5-[[2-butyl-5-[(4-carboxyphenoxy)methoxymethyl]-4-chloroimidazol-1-yl]methyl]-2-phenylbenzoic acid Traditional Name: 5-[[2-butyl-5-[(4-carboxyphenoxy)methoxymethyl]-4-chloro-imidazol-1-yl]methyl]-2-phenyl-benzoic acid Formula: C30H29ClN2O6 MolecularWeight: 549.01406

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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)COCOC4=CC=C(C=C4)C(=O)O)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC(=C(C=C2)C3=CC=CC=C3)C(=O)O)COCOC4=CC=C(C=C4)C(=O)O)Cl

InChI

InChI=1S/C30H29ClN2O6/c1-2-3-9-27-32-28(31)26(18-38-19-39-23-13-11-22(12-14-23)29(34)35)33(27)17-20-10-15-24(25(16-20)30(36)37)21-7-5-4-6-8-21/h4-8,10-16H,2-3,9,17-19H2,1H3,(H,34,35)(H,36,37)