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

Systemtic Name: 2-[4-[[5-but-3-ynyl-3-(2-cyclohexylethyl)-2-oxidanylidene-imidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[5-but-3-ynyl-3-(2-cyclohexylethyl)-2-oxo-imidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[5-but-3-ynyl-3-(2-cyclohexylethyl)-2-oxo-1-imidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[5-but-3-ynyl-3-(2-cyclohexylethyl)-2-oxoimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[5-but-3-ynyl-3-(2-cyclohexylethyl)-2-keto-4-imidazolin-1-yl]methyl]phenyl]benzoic acid Formula: C29H32N2O3 MolecularWeight: 456.57598

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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)CCC4CCCCC4

Isomeric SMILES

C#CCCC1=CN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CCC4CCCCC4

InChI

InChI=1S/C29H32N2O3/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/h1,7-8,12-17,21-22H,3-6,9-11,18-20H2,(H,32,33)