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

Systemtic Name: 2-[4-[[4,5-bis(ethoxycarbonyl)-2-propyl-imidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[4,5-bis(ethoxycarbonyl)-2-propyl-imidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[4,5-bis(ethoxycarbonyl)-2-propyl-1-imidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[4,5-bis(ethoxycarbonyl)-2-propylimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(4,5-dicarbethoxy-2-propyl-imidazol-1-yl)methyl]phenyl]benzoic acid Formula: C26H28N2O6 MolecularWeight: 464.51032

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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)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O6/c1-4-9-21-27-22(25(31)33-5-2)23(26(32)34-6-3)28(21)16-17-12-14-18(15-13-17)19-10-7-8-11-20(19)24(29)30/h7-8,10-15H,4-6,9,16H2,1-3H3,(H,29,30)