2-[4-[[4-(fluoranylmethyl)-2-oxidanylidene-3-pentanoyl-5-propyl-imidazol-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[4-(fluoranylmethyl)-2-oxidanylidene-3-pentanoyl-5-propyl-imidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[4-(fluoromethyl)-2-oxo-3-pentanoyl-5-propyl-imidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[4-(fluoromethyl)-2-oxo-3-(1-oxopentyl)-5-propyl-1-imidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[4-(fluoromethyl)-2-oxo-3-pentanoyl-5-propylimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[4-(fluoromethyl)-2-keto-5-propyl-3-valeryl-4-imidazolin-1-yl]methyl]phenyl]benzoic acid Formula: C26H29FN2O4 MolecularWeight: 452.517863

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1C(=C(N(C1=O)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CCC)CF

Isomeric SMILES

CCCCC(=O)N1C(=C(N(C1=O)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CCC)CF

InChI

InChI=1S/C26H29FN2O4/c1-3-5-11-24(30)29-23(16-27)22(8-4-2)28(26(29)33)17-18-12-14-19(15-13-18)20-9-6-7-10-21(20)25(31)32/h6-7,9-10,12-15H,3-5,8,11,16-17H2,1-2H3,(H,31,32)