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

Systemtic Name: 2-[4-[(5-ethoxycarbonyl-4-propan-2-yl-2-propyl-imidazol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(5-ethoxycarbonyl-4-isopropyl-2-propyl-imidazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(5-ethoxycarbonyl-4-propan-2-yl-2-propyl-1-imidazolyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(5-ethoxycarbonyl-4-propan-2-yl-2-propylimidazol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(5-carbethoxy-4-isopropyl-2-propyl-imidazol-1-yl)methyl]phenyl]benzoic acid Formula: C26H30N2O4 MolecularWeight: 434.5274

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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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O4/c1-5-9-22-27-23(17(3)4)24(26(31)32-6-2)28(22)16-18-12-14-19(15-13-18)20-10-7-8-11-21(20)25(29)30/h7-8,10-15,17H,5-6,9,16H2,1-4H3,(H,29,30)