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

Systemtic Name: 2-[4-[[5-but-2-ynyl-3-(cyclohexylmethyl)-2-oxidanylidene-imidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[5-but-2-ynyl-3-(cyclohexylmethyl)-2-oxo-imidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[5-but-2-ynyl-3-(cyclohexylmethyl)-2-oxo-1-imidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[5-but-2-ynyl-3-(cyclohexylmethyl)-2-oxoimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[5-but-2-ynyl-3-(cyclohexylmethyl)-2-keto-4-imidazolin-1-yl]methyl]phenyl]benzoic acid Formula: C28H30N2O3 MolecularWeight: 442.5494

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCC1=CN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CC4CCCCC4

Isomeric SMILES

CC#CCC1=CN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CC4CCCCC4

InChI

InChI=1S/C28H30N2O3/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/h7-8,12-17,20-21H,4-6,9-11,18-19H2,1H3,(H,31,32)