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

Systemtic Name: 2-[4-[[3-butanoyl-5-(3-methylbutyl)-2-oxidanylidene-imidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(3-butanoyl-5-isopentyl-2-oxo-imidazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[[5-(3-methylbutyl)-2-oxo-3-(1-oxobutyl)-1-imidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[3-butanoyl-5-(3-methylbutyl)-2-oxoimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(3-butyryl-5-isoamyl-2-keto-4-imidazolin-1-yl)methyl]phenyl]benzoic acid Formula: C26H30N2O4 MolecularWeight: 434.5274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1C=C(N(C1=O)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CCC(C)C

Isomeric SMILES

CCCC(=O)N1C=C(N(C1=O)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CCC(C)C

InChI

InChI=1S/C26H30N2O4/c1-4-7-24(29)28-17-21(15-10-18(2)3)27(26(28)32)16-19-11-13-20(14-12-19)22-8-5-6-9-23(22)25(30)31/h5-6,8-9,11-14,17-18H,4,7,10,15-16H2,1-3H3,(H,30,31)