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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(N(C1=O)CC2=CC=CC(=C2C(=O)O)C3=CC=CC=C3)CCC(C)C

Isomeric SMILES

CCCCN1C=C(N(C1=O)CC2=CC=CC(=C2C(=O)O)C3=CC=CC=C3)CCC(C)C

InChI

InChI=1S/C26H32N2O3/c1-4-5-16-27-18-22(15-14-19(2)3)28(26(27)31)17-21-12-9-13-23(24(21)25(29)30)20-10-7-6-8-11-20/h6-13,18-19H,4-5,14-17H2,1-3H3,(H,29,30)