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

Systemtic Name: 2-[4-[(5-butan-2-yl-2-oxidanylidene-3-propanoyl-imidazol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(2-oxo-3-propanoyl-5-sec-butyl-imidazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[[5-butan-2-yl-2-oxo-3-(1-oxopropyl)-1-imidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(5-butan-2-yl-2-oxo-3-propanoylimidazol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-keto-3-propionyl-5-sec-butyl-4-imidazolin-1-yl)methyl]phenyl]benzoic acid Formula: C24H26N2O4 MolecularWeight: 406.47424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)CC

Isomeric SMILES

CCC(C)C1=CN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)CC

InChI

InChI=1S/C24H26N2O4/c1-4-16(3)21-15-26(22(27)5-2)24(30)25(21)14-17-10-12-18(13-11-17)19-8-6-7-9-20(19)23(28)29/h6-13,15-16H,4-5,14H2,1-3H3,(H,28,29)