2-[4-[(5-butan-2-yl-3-cyclohexyl-2-oxidanylidene-imidazol-1-yl)methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[(5-butan-2-yl-3-cyclohexyl-2-oxidanylidene-imidazol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(3-cyclohexyl-2-oxo-5-sec-butyl-imidazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(5-butan-2-yl-3-cyclohexyl-2-oxo-1-imidazolyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(5-butan-2-yl-3-cyclohexyl-2-oxoimidazol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(3-cyclohexyl-2-keto-5-sec-butyl-4-imidazolin-1-yl)methyl]phenyl]benzoic acid Formula: C27H32N2O3 MolecularWeight: 432.55458

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C4CCCCC4

Isomeric SMILES

CCC(C)C1=CN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C4CCCCC4

InChI

InChI=1S/C27H32N2O3/c1-3-19(2)25-18-28(22-9-5-4-6-10-22)27(32)29(25)17-20-13-15-21(16-14-20)23-11-7-8-12-24(23)26(30)31/h7-8,11-16,18-19,22H,3-6,9-10,17H2,1-2H3,(H,30,31)