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

Systemtic Name: 2-[4-[[5-but-3-ynyl-2-oxidanylidene-3-(phenylmethyl)imidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(3-benzyl-5-but-3-ynyl-2-oxo-imidazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[[5-but-3-ynyl-2-oxo-3-(phenylmethyl)-1-imidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(3-benzyl-5-but-3-ynyl-2-oxoimidazol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(3-benzyl-5-but-3-ynyl-2-keto-4-imidazolin-1-yl)methyl]phenyl]benzoic acid Formula: C28H24N2O3 MolecularWeight: 436.50176

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCC1=CN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CC4=CC=CC=C4

Isomeric SMILES

C#CCCC1=CN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CC4=CC=CC=C4

InChI

InChI=1S/C28H24N2O3/c1-2-3-11-24-20-29(18-21-9-5-4-6-10-21)28(33)30(24)19-22-14-16-23(17-15-22)25-12-7-8-13-26(25)27(31)32/h1,4-10,12-17,20H,3,11,18-19H2,(H,31,32)