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

Systemtic Name: 2-[4-[(5-tert-butyl-2-oxidanylidene-3-pentanoyl-imidazol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(5-tert-butyl-2-oxo-3-pentanoyl-imidazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[[5-tert-butyl-2-oxo-3-(1-oxopentyl)-1-imidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(5-tert-butyl-2-oxo-3-pentanoylimidazol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(5-tert-butyl-2-keto-3-valeryl-4-imidazolin-1-yl)methyl]phenyl]benzoic acid Formula: C26H30N2O4 MolecularWeight: 434.5274

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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)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O4/c1-5-6-11-23(29)28-17-22(26(2,3)4)27(25(28)32)16-18-12-14-19(15-13-18)20-9-7-8-10-21(20)24(30)31/h7-10,12-15,17H,5-6,11,16H2,1-4H3,(H,30,31)