2-acetamido-2-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]propanedioic acid

Systemtic Name: 2-acetamido-2-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]propanedioic acid Openeye Name: 2-acetamido-2-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]propanedioic acid CAS Name: 2-acetamido-2-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]propanedioic acid IUPAC Name: 2-acetamido-2-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]propanedioic acid Traditional Name: 2-acetamido-2-[4-(2-imidazolin-2-yl)benzyl]malonic acid Formula: C15H17N3O5 MolecularWeight: 319.31258

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=C(C=C1)C2=NCCN2)(C(=O)O)C(=O)O

Isomeric SMILES

CC(=O)NC(CC1=CC=C(C=C1)C2=NCCN2)(C(=O)O)C(=O)O

InChI

InChI=1S/C15H17N3O5/c1-9(19)18-15(13(20)21,14(22)23)8-10-2-4-11(5-3-10)12-16-6-7-17-12/h2-5H,6-8H2,1H3,(H,16,17)(H,18,19)(H,20,21)(H,22,23)