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

Systemtic Name: 2-[4-[(5-but-2-ynyl-2-oxidanylidene-3-pentanoyl-imidazol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(5-but-2-ynyl-2-oxo-3-pentanoyl-imidazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[[5-but-2-ynyl-2-oxo-3-(1-oxopentyl)-1-imidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(5-but-2-ynyl-2-oxo-3-pentanoylimidazol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(5-but-2-ynyl-2-keto-3-valeryl-4-imidazolin-1-yl)methyl]phenyl]benzoic acid Formula: C26H26N2O4 MolecularWeight: 430.49564

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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)CC#CC

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O4/c1-3-5-9-21-18-28(24(29)12-6-4-2)26(32)27(21)17-19-13-15-20(16-14-19)22-10-7-8-11-23(22)25(30)31/h7-8,10-11,13-16,18H,4,6,9,12,17H2,1-2H3,(H,30,31)