4-[[2-butyl-5-[[[(2S)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]methyl]imidazol-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[2-butyl-5-[[[(2S)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]methyl]imidazol-1-yl]methyl]benzoic acid Openeye Name: 4-[[5-[[[(1S)-1-benzyl-2-hydroxy-2-oxo-ethyl]amino]methyl]-2-butyl-imidazol-1-yl]methyl]benzoic acid CAS Name: 4-[[2-butyl-5-[[[(2S)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]amino]methyl]-1-imidazolyl]methyl]benzoic acid IUPAC Name: 4-[[2-butyl-5-[[[(2S)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]amino]methyl]imidazol-1-yl]methyl]benzoic acid Traditional Name: 4-[[5-[[[(1S)-1-benzyl-2-hydroxy-2-keto-ethyl]amino]methyl]-2-butyl-imidazol-1-yl]methyl]benzoic acid Formula: C25H29N3O4 MolecularWeight: 435.51546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)CNC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)CN[C@@H](CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C25H29N3O4/c1-2-3-9-23-27-16-21(28(23)17-19-10-12-20(13-11-19)24(29)30)15-26-22(25(31)32)14-18-7-5-4-6-8-18/h4-8,10-13,16,22,26H,2-3,9,14-15,17H2,1H3,(H,29,30)(H,31,32)/t22-/m0/s1