ethanedioic acid; 1-[4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]propan-1-one

Systemtic Name: ethanedioic acid; 1-[4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]propan-1-one Openeye Name: 1-[4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]propan-1-one; oxalic acid CAS Name: 1-[4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]-1-propanone; oxalic acid IUPAC Name: 1-[4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]propan-1-one; oxalic acid Traditional Name: 1-[4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]propan-1-one; oxalic acid Formula: C16H18N2O6 MolecularWeight: 334.32392

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCCC2=CN=CN2.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OCCC2=CN=CN2.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H16N2O2.C2H2O4/c1-2-14(17)11-3-5-13(6-4-11)18-8-7-12-9-15-10-16-12;3-1(4)2(5)6/h3-6,9-10H,2,7-8H2,1H3,(H,15,16);(H,3,4)(H,5,6)