2-[2-butyl-5-chloranyl-3-[[4-(3-phenylpropanoylamino)phenyl]methyl]imidazol-4-yl]ethanoic acid

Systemtic Name: 2-[2-butyl-5-chloranyl-3-[[4-(3-phenylpropanoylamino)phenyl]methyl]imidazol-4-yl]ethanoic acid Openeye Name: 2-[2-butyl-5-chloro-3-[[4-(3-phenylpropanoylamino)phenyl]methyl]imidazol-4-yl]acetic acid CAS Name: 2-[2-butyl-5-chloro-3-[[4-[(1-oxo-3-phenylpropyl)amino]phenyl]methyl]-4-imidazolyl]acetic acid IUPAC Name: 2-[2-butyl-5-chloro-3-[[4-(3-phenylpropanoylamino)phenyl]methyl]imidazol-4-yl]acetic acid Traditional Name: 2-[2-butyl-5-chloro-3-[4-(hydrocinnamoylamino)benzyl]imidazol-4-yl]acetic acid Formula: C25H28ClN3O3 MolecularWeight: 453.96112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)NC(=O)CCC3=CC=CC=C3)CC(=O)O)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)NC(=O)CCC3=CC=CC=C3)CC(=O)O)Cl

InChI

InChI=1S/C25H28ClN3O3/c1-2-3-9-22-28-25(26)21(16-24(31)32)29(22)17-19-10-13-20(14-11-19)27-23(30)15-12-18-7-5-4-6-8-18/h4-8,10-11,13-14H,2-3,9,12,15-17H2,1H3,(H,27,30)(H,31,32)