2-[4-[[2-butyl-5-[(1-ethoxy-1-oxidanylidene-propan-2-yl)carbamoyl]-4-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[2-butyl-5-[(1-ethoxy-1-oxidanylidene-propan-2-yl)carbamoyl]-4-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-butyl-5-[(2-ethoxy-1-methyl-2-oxo-ethyl)carbamoyl]-4-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-butyl-5-[[(1-ethoxy-1-oxopropan-2-yl)amino]-oxomethyl]-4-(hydroxymethyl)-1-imidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-butyl-5-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]-4-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[2-butyl-5-[(2-ethoxy-2-keto-1-methyl-ethyl)carbamoyl]-4-methylol-imidazol-1-yl]methyl]phenyl]benzoic acid Formula: C28H33N3O6 MolecularWeight: 507.57812

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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)NC(C)C(=O)OCC)CO

Isomeric SMILES

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

InChI

InChI=1S/C28H33N3O6/c1-4-6-11-24-30-23(17-32)25(26(33)29-18(3)28(36)37-5-2)31(24)16-19-12-14-20(15-13-19)21-9-7-8-10-22(21)27(34)35/h7-10,12-15,18,32H,4-6,11,16-17H2,1-3H3,(H,29,33)(H,34,35)