2-[4-[[2-butyl-5-[(3-ethoxy-3-oxidanylidene-propyl)carbamoyl]-4-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[2-butyl-5-[(3-ethoxy-3-oxidanylidene-propyl)carbamoyl]-4-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-butyl-5-[(3-ethoxy-3-oxo-propyl)carbamoyl]-4-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-butyl-5-[[(3-ethoxy-3-oxopropyl)amino]-oxomethyl]-4-(hydroxymethyl)-1-imidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-butyl-5-[(3-ethoxy-3-oxopropyl)carbamoyl]-4-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[2-butyl-5-[(3-ethoxy-3-keto-propyl)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)NCCC(=O)OCC)CO

Isomeric SMILES

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

InChI

InChI=1S/C28H33N3O6/c1-3-5-10-24-30-23(18-32)26(27(34)29-16-15-25(33)37-4-2)31(24)17-19-11-13-20(14-12-19)21-8-6-7-9-22(21)28(35)36/h6-9,11-14,32H,3-5,10,15-18H2,1-2H3,(H,29,34)(H,35,36)