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

Systemtic Name: 2-[4-[(5-but-3-ynyl-3-cyclohexylcarbonyl-2-oxidanylidene-imidazol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[5-but-3-ynyl-3-(cyclohexanecarbonyl)-2-oxo-imidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[5-but-3-ynyl-3-[cyclohexyl(oxo)methyl]-2-oxo-1-imidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[5-but-3-ynyl-3-(cyclohexanecarbonyl)-2-oxoimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[5-but-3-ynyl-3-(cyclohexanecarbonyl)-2-keto-4-imidazolin-1-yl]methyl]phenyl]benzoic acid Formula: C28H28N2O4 MolecularWeight: 456.53292

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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)C(=O)C4CCCCC4

Isomeric SMILES

C#CCCC1=CN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)C4CCCCC4

InChI

InChI=1S/C28H28N2O4/c1-2-3-11-23-19-30(26(31)22-9-5-4-6-10-22)28(34)29(23)18-20-14-16-21(17-15-20)24-12-7-8-13-25(24)27(32)33/h1,7-8,12-17,19,22H,3-6,9-11,18H2,(H,32,33)