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

Systemtic Name: 2-[4-[(5-but-3-ynyl-2-oxidanylidene-3-phenethyl-imidazol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(5-but-3-ynyl-2-oxo-3-phenethyl-imidazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(5-but-3-ynyl-2-oxo-3-phenethyl-1-imidazolyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(5-but-3-ynyl-2-oxo-3-phenethylimidazol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(5-but-3-ynyl-2-keto-3-phenethyl-4-imidazolin-1-yl)methyl]phenyl]benzoic acid Formula: C29H26N2O3 MolecularWeight: 450.52834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCCC1=CN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CCC4=CC=CC=C4

Isomeric SMILES

C#CCCC1=CN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CCC4=CC=CC=C4

InChI

InChI=1S/C29H26N2O3/c1-2-3-11-25-21-30(19-18-22-9-5-4-6-10-22)29(34)31(25)20-23-14-16-24(17-15-23)26-12-7-8-13-27(26)28(32)33/h1,4-10,12-17,21H,3,11,18-20H2,(H,32,33)