ethanedioic acid; 1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-2-phenyl-ethanone

Systemtic Name: ethanedioic acid; 1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-2-phenyl-ethanone Openeye Name: 1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-2-phenyl-ethanone; oxalic acid CAS Name: 1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-2-phenylethanone; oxalic acid IUPAC Name: 1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-2-phenylethanone; oxalic acid Traditional Name: 1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-2-phenyl-ethanone; oxalic acid Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)C2=CC=C(C=C2)OCCCC3=CN=CN3.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)C2=CC=C(C=C2)OCCCC3=CN=CN3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H20N2O2.C2H2O4/c23-20(13-16-5-2-1-3-6-16)17-8-10-19(11-9-17)24-12-4-7-18-14-21-15-22-18;3-1(4)2(5)6/h1-3,5-6,8-11,14-15H,4,7,12-13H2,(H,21,22);(H,3,4)(H,5,6)