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

Systemtic Name: 2-[4-[(5-but-3-ynyl-2-oxidanylidene-3-propanoyl-imidazol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(5-but-3-ynyl-2-oxo-3-propanoyl-imidazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[[5-but-3-ynyl-2-oxo-3-(1-oxopropyl)-1-imidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(5-but-3-ynyl-2-oxo-3-propanoylimidazol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(5-but-3-ynyl-2-keto-3-propionyl-4-imidazolin-1-yl)methyl]phenyl]benzoic acid Formula: C24H22N2O4 MolecularWeight: 402.44248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N2O4/c1-3-5-8-19-16-26(22(27)4-2)24(30)25(19)15-17-11-13-18(14-12-17)20-9-6-7-10-21(20)23(28)29/h1,6-7,9-14,16H,4-5,8,15H2,2H3,(H,28,29)