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

Systemtic Name: 2-[4-[[2-butyl-4-(2-carboxyphenyl)imidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-butyl-4-(2-carboxyphenyl)imidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-butyl-4-(2-carboxyphenyl)-1-imidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-butyl-4-(2-carboxyphenyl)imidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[2-butyl-4-(2-carboxyphenyl)imidazol-1-yl]methyl]phenyl]benzoic acid Formula: C28H26N2O4 MolecularWeight: 454.51704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=CN1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CCCCC1=NC(=CN1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C28H26N2O4/c1-2-3-12-26-29-25(22-9-5-7-11-24(22)28(33)34)18-30(26)17-19-13-15-20(16-14-19)21-8-4-6-10-23(21)27(31)32/h4-11,13-16,18H,2-3,12,17H2,1H3,(H,31,32)(H,33,34)