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

Systemtic Name: 2-[4-[[2-butyl-5-methoxycarbonyl-4-(methoxymethyl)imidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-butyl-5-methoxycarbonyl-4-(methoxymethyl)imidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-butyl-5-methoxycarbonyl-4-(methoxymethyl)-1-imidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-butyl-5-methoxycarbonyl-4-(methoxymethyl)imidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[2-butyl-5-carbomethoxy-4-(methoxymethyl)imidazol-1-yl]methyl]phenyl]benzoic acid Formula: C25H28N2O5 MolecularWeight: 436.50022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)OC)COC

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)OC)COC

InChI

InChI=1S/C25H28N2O5/c1-4-5-10-22-26-21(16-31-2)23(25(30)32-3)27(22)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)24(28)29/h6-9,11-14H,4-5,10,15-16H2,1-3H3,(H,28,29)