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

Systemtic Name: 2-[4-[[5-butyl-2-oxidanylidene-3-(2-phenylethanoyl)imidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[5-butyl-2-oxo-3-(2-phenylacetyl)imidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[5-butyl-2-oxo-3-(1-oxo-2-phenylethyl)-1-imidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[5-butyl-2-oxo-3-(2-phenylacetyl)imidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[5-butyl-2-keto-3-(2-phenylacetyl)-4-imidazolin-1-yl]methyl]phenyl]benzoic acid Formula: C29H28N2O4 MolecularWeight: 468.54362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)CC4=CC=CC=C4

Isomeric SMILES

CCCCC1=CN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)CC4=CC=CC=C4

InChI

InChI=1S/C29H28N2O4/c1-2-3-11-24-20-31(27(32)18-21-9-5-4-6-10-21)29(35)30(24)19-22-14-16-23(17-15-22)25-12-7-8-13-26(25)28(33)34/h4-10,12-17,20H,2-3,11,18-19H2,1H3,(H,33,34)