2-methyl-3-(2-oxidanylidene-3-phenethyl-5-propyl-imidazol-1-yl)-6-phenyl-benzoic acid

Systemtic Name: 2-methyl-3-(2-oxidanylidene-3-phenethyl-5-propyl-imidazol-1-yl)-6-phenyl-benzoic acid Openeye Name: 2-methyl-3-(2-oxo-3-phenethyl-5-propyl-imidazol-1-yl)-6-phenyl-benzoic acid CAS Name: 2-methyl-3-(2-oxo-3-phenethyl-5-propyl-1-imidazolyl)-6-phenylbenzoic acid IUPAC Name: 2-methyl-3-(2-oxo-3-phenethyl-5-propylimidazol-1-yl)-6-phenylbenzoic acid Traditional Name: 3-(2-keto-3-phenethyl-5-propyl-4-imidazolin-1-yl)-2-methyl-6-phenyl-benzoic acid Formula: C28H28N2O3 MolecularWeight: 440.53352

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN(C(=O)N1C2=C(C(=C(C=C2)C3=CC=CC=C3)C(=O)O)C)CCC4=CC=CC=C4

Isomeric SMILES

CCCC1=CN(C(=O)N1C2=C(C(=C(C=C2)C3=CC=CC=C3)C(=O)O)C)CCC4=CC=CC=C4

InChI

InChI=1S/C28H28N2O3/c1-3-10-23-19-29(18-17-21-11-6-4-7-12-21)28(33)30(23)25-16-15-24(22-13-8-5-9-14-22)26(20(25)2)27(31)32/h4-9,11-16,19H,3,10,17-18H2,1-2H3,(H,31,32)