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

Systemtic Name: 2-[[3-butyl-5-(2-methylpropyl)-2-oxidanylidene-imidazol-1-yl]methyl]-6-phenyl-benzoic acid Openeye Name: 2-[(3-butyl-5-isobutyl-2-oxo-imidazol-1-yl)methyl]-6-phenyl-benzoic acid CAS Name: 2-[[3-butyl-5-(2-methylpropyl)-2-oxo-1-imidazolyl]methyl]-6-phenylbenzoic acid IUPAC Name: 2-[[3-butyl-5-(2-methylpropyl)-2-oxoimidazol-1-yl]methyl]-6-phenylbenzoic acid Traditional Name: 2-[(3-butyl-5-isobutyl-2-keto-4-imidazolin-1-yl)methyl]-6-phenyl-benzoic acid Formula: C25H30N2O3 MolecularWeight: 406.5173

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)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O3/c1-4-5-14-26-17-21(15-18(2)3)27(25(26)30)16-20-12-9-13-22(23(20)24(28)29)19-10-7-6-8-11-19/h6-13,17-18H,4-5,14-16H2,1-3H3,(H,28,29)