2-[4-[(2-butyl-4-methyl-5-oxidanylidene-4-propan-2-yl-imidazol-1-yl)methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[(2-butyl-4-methyl-5-oxidanylidene-4-propan-2-yl-imidazol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(2-butyl-4-isopropyl-4-methyl-5-oxo-imidazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(2-butyl-4-methyl-5-oxo-4-propan-2-yl-1-imidazolyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(2-butyl-4-methyl-5-oxo-4-propan-2-ylimidazol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-butyl-4-isopropyl-5-keto-4-methyl-2-imidazolin-1-yl)methyl]phenyl]benzoic acid Formula: C25H30N2O3 MolecularWeight: 406.5173

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)(C)C(C)C

Isomeric SMILES

CCCCC1=NC(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)(C)C(C)C

InChI

InChI=1S/C25H30N2O3/c1-5-6-11-22-26-25(4,17(2)3)24(30)27(22)16-18-12-14-19(15-13-18)20-9-7-8-10-21(20)23(28)29/h7-10,12-15,17H,5-6,11,16H2,1-4H3,(H,28,29)