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

Systemtic Name: 2-[4-[[5-(3-methylbutyl)-2-oxidanylidene-3-propanoyl-imidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(5-isopentyl-2-oxo-3-propanoyl-imidazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[[5-(3-methylbutyl)-2-oxo-3-(1-oxopropyl)-1-imidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[5-(3-methylbutyl)-2-oxo-3-propanoylimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(5-isoamyl-2-keto-3-propionyl-4-imidazolin-1-yl)methyl]phenyl]benzoic acid Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O4/c1-4-23(28)27-16-20(14-9-17(2)3)26(25(27)31)15-18-10-12-19(13-11-18)21-7-5-6-8-22(21)24(29)30/h5-8,10-13,16-17H,4,9,14-15H2,1-3H3,(H,29,30)