2-[4-[(5-ethoxycarbonyl-4-ethyl-2-propyl-imidazol-1-yl)methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[(5-ethoxycarbonyl-4-ethyl-2-propyl-imidazol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(5-ethoxycarbonyl-4-ethyl-2-propyl-imidazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(5-ethoxycarbonyl-4-ethyl-2-propyl-1-imidazolyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(5-ethoxycarbonyl-4-ethyl-2-propylimidazol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(5-carbethoxy-4-ethyl-2-propyl-imidazol-1-yl)methyl]phenyl]benzoic acid Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)OCC)CC

Isomeric SMILES

CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)OCC)CC

InChI

InChI=1S/C25H28N2O4/c1-4-9-22-26-21(5-2)23(25(30)31-6-3)27(22)16-17-12-14-18(15-13-17)19-10-7-8-11-20(19)24(28)29/h7-8,10-15H,4-6,9,16H2,1-3H3,(H,28,29)