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

Systemtic Name: 2-[(3-butyl-2-oxidanylidene-5-pentyl-imidazol-1-yl)methyl]-6-phenyl-benzoic acid Openeye Name: 2-[(3-butyl-2-oxo-5-pentyl-imidazol-1-yl)methyl]-6-phenyl-benzoic acid CAS Name: 2-[(3-butyl-2-oxo-5-pentyl-1-imidazolyl)methyl]-6-phenylbenzoic acid IUPAC Name: 2-[(3-butyl-2-oxo-5-pentylimidazol-1-yl)methyl]-6-phenylbenzoic acid Traditional Name: 2-[(5-amyl-3-butyl-2-keto-4-imidazolin-1-yl)methyl]-6-phenyl-benzoic acid Formula: C26H32N2O3 MolecularWeight: 420.54388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN(C(=O)N1CC2=CC=CC(=C2C(=O)O)C3=CC=CC=C3)CCCC

Isomeric SMILES

CCCCCC1=CN(C(=O)N1CC2=CC=CC(=C2C(=O)O)C3=CC=CC=C3)CCCC

InChI

InChI=1S/C26H32N2O3/c1-3-5-8-15-22-19-27(17-6-4-2)26(31)28(22)18-21-14-11-16-23(24(21)25(29)30)20-12-9-7-10-13-20/h7,9-14,16,19H,3-6,8,15,17-18H2,1-2H3,(H,29,30)