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

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

CCCCCN1C=C(N(C1=O)CC2=CC=CC(=C2C(=O)O)C3=CC=CC=C3)CCCC

Isomeric SMILES

CCCCCN1C=C(N(C1=O)CC2=CC=CC(=C2C(=O)O)C3=CC=CC=C3)CCCC

InChI

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