2-[[2-butyl-3-[(3-carboxy-4-phenyl-phenyl)methyl]-5-chloranyl-imidazol-4-yl]methoxymethyl]furan-3-carboxylic acid

Systemtic Name: 2-[[2-butyl-3-[(3-carboxy-4-phenyl-phenyl)methyl]-5-chloranyl-imidazol-4-yl]methoxymethyl]furan-3-carboxylic acid Openeye Name: 2-[[2-butyl-3-[(3-carboxy-4-phenyl-phenyl)methyl]-5-chloro-imidazol-4-yl]methoxymethyl]furan-3-carboxylic acid CAS Name: 2-[[2-butyl-3-[(3-carboxy-4-phenylphenyl)methyl]-5-chloro-4-imidazolyl]methoxymethyl]-3-furancarboxylic acid IUPAC Name: 2-[[2-butyl-3-[(3-carboxy-4-phenylphenyl)methyl]-5-chloroimidazol-4-yl]methoxymethyl]furan-3-carboxylic acid Traditional Name: 2-[[2-butyl-3-(3-carboxy-4-phenyl-benzyl)-5-chloro-imidazol-4-yl]methoxymethyl]-3-furoic acid Formula: C28H27ClN2O6 MolecularWeight: 522.97678

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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=C(C=CO4)C(=O)O)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC(=C(C=C2)C3=CC=CC=C3)C(=O)O)COCC4=C(C=CO4)C(=O)O)Cl

InChI

InChI=1S/C28H27ClN2O6/c1-2-3-9-25-30-26(29)23(16-36-17-24-21(27(32)33)12-13-37-24)31(25)15-18-10-11-20(22(14-18)28(34)35)19-7-5-4-6-8-19/h4-8,10-14H,2-3,9,15-17H2,1H3,(H,32,33)(H,34,35)