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

Systemtic Name: 2-[4-[(2-butyl-5-ethoxycarbonyl-4-methylsulfinyl-imidazol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(2-butyl-5-ethoxycarbonyl-4-methylsulfinyl-imidazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(2-butyl-5-ethoxycarbonyl-4-methylsulfinyl-1-imidazolyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(2-butyl-5-ethoxycarbonyl-4-methylsulfinylimidazol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-butyl-5-carbethoxy-4-methylsulfinyl-imidazol-1-yl)methyl]phenyl]benzoic acid Formula: C25H28N2O5S MolecularWeight: 468.56522

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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)OCC)S(=O)C

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)OCC)S(=O)C

InChI

InChI=1S/C25H28N2O5S/c1-4-6-11-21-26-23(33(3)31)22(25(30)32-5-2)27(21)16-17-12-14-18(15-13-17)19-9-7-8-10-20(19)24(28)29/h7-10,12-15H,4-6,11,16H2,1-3H3,(H,28,29)