2-[(5-butyl-4-methyl-2-oxidanylidene-3-phenyl-imidazol-1-yl)methyl]-6-phenyl-benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(C(=O)N1CC2=CC=CC(=C2C(=O)O)C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CCCCC1=C(N(C(=O)N1CC2=CC=CC(=C2C(=O)O)C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C28H28N2O3/c1-3-4-18-25-20(2)30(23-15-9-6-10-16-23)28(33)29(25)19-22-14-11-17-24(26(22)27(31)32)21-12-7-5-8-13-21/h5-17H,3-4,18-19H2,1-2H3,(H,31,32)