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

Systemtic Name: ethanedioic acid; 1-[3-[4-(1H-imidazol-5-yl)butoxy]phenyl]ethanone Openeye Name: 1-[3-[4-(1H-imidazol-5-yl)butoxy]phenyl]ethanone; oxalic acid CAS Name: 1-[3-[4-(1H-imidazol-5-yl)butoxy]phenyl]ethanone; oxalic acid IUPAC Name: 1-[3-[4-(1H-imidazol-5-yl)butoxy]phenyl]ethanone; oxalic acid Traditional Name: 1-[3-[4-(1H-imidazol-5-yl)butoxy]phenyl]ethanone; oxalic acid Formula: C17H20N2O6 MolecularWeight: 348.3505

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)OCCCCC2=CN=CN2.C(=O)(C(=O)O)O

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)OCCCCC2=CN=CN2.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H18N2O2.C2H2O4/c1-12(18)13-5-4-7-15(9-13)19-8-3-2-6-14-10-16-11-17-14;3-1(4)2(5)6/h4-5,7,9-11H,2-3,6,8H2,1H3,(H,16,17);(H,3,4)(H,5,6)