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

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

Systemtic Name:2-[4-[(3-butanoyl-5-but-2-ynyl-2-oxidanylidene-imidazol-1-yl)methyl]phenyl]benzoic acid
Openeye Name:2-[4-[(3-butanoyl-5-but-2-ynyl-2-oxo-imidazol-1-yl)methyl]phenyl]benzoic acid
CAS Name:2-[4-[[5-but-2-ynyl-2-oxo-3-(1-oxobutyl)-1-imidazolyl]methyl]phenyl]benzoic acid
IUPAC Name:2-[4-[(3-butanoyl-5-but-2-ynyl-2-oxoimidazol-1-yl)methyl]phenyl]benzoic acid
Traditional Name:2-[4-[(5-but-2-ynyl-3-butyryl-2-keto-4-imidazolin-1-yl)methyl]phenyl]benzoic acid
Formula: C25H24N2O4
MolecularWeight: 416.46906
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C25H24N2O4/c1-3-5-9-20-17-27(23(28)8-4-2)25(31)26(20)16-18-12-14-19(15-13-18)21-10-6-7-11-22(21)24(29)30/h6-7,10-15,17H,4,8-9,16H2,1-2H3,(H,29,30)


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