2-[4-[[2-oxidanylidene-3-(2-phenylethanoyl)-5-propyl-imidazol-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[2-oxidanylidene-3-(2-phenylethanoyl)-5-propyl-imidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-oxo-3-(2-phenylacetyl)-5-propyl-imidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-oxo-3-(1-oxo-2-phenylethyl)-5-propyl-1-imidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-oxo-3-(2-phenylacetyl)-5-propylimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[2-keto-3-(2-phenylacetyl)-5-propyl-4-imidazolin-1-yl]methyl]phenyl]benzoic acid Formula: C28H26N2O4 MolecularWeight: 454.51704

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)CC4=CC=CC=C4

Isomeric SMILES

CCCC1=CN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)CC4=CC=CC=C4

InChI

InChI=1S/C28H26N2O4/c1-2-8-23-19-30(26(31)17-20-9-4-3-5-10-20)28(34)29(23)18-21-13-15-22(16-14-21)24-11-6-7-12-25(24)27(32)33/h3-7,9-16,19H,2,8,17-18H2,1H3,(H,32,33)