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

Systemtic Name: 2-[4-[(3-butan-2-yl-5-butyl-4-fluoranyl-2-oxidanylidene-imidazol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(5-butyl-4-fluoro-2-oxo-3-sec-butyl-imidazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(3-butan-2-yl-5-butyl-4-fluoro-2-oxo-1-imidazolyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(3-butan-2-yl-5-butyl-4-fluoro-2-oxoimidazol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(5-butyl-4-fluoro-2-keto-3-sec-butyl-4-imidazolin-1-yl)methyl]phenyl]benzoic acid Formula: C25H29FN2O3 MolecularWeight: 424.507763

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(C)CC)F

Isomeric SMILES

CCCCC1=C(N(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(C)CC)F

InChI

InChI=1S/C25H29FN2O3/c1-4-6-11-22-23(26)28(17(3)5-2)25(31)27(22)16-18-12-14-19(15-13-18)20-9-7-8-10-21(20)24(29)30/h7-10,12-15,17H,4-6,11,16H2,1-3H3,(H,29,30)