ethanedioic acid; 1-[4-(2-fluoranylphenoxy)butyl]-3,5-dimethyl-pyrazole

Systemtic Name: ethanedioic acid; 1-[4-(2-fluoranylphenoxy)butyl]-3,5-dimethyl-pyrazole Openeye Name: 1-[4-(2-fluorophenoxy)butyl]-3,5-dimethyl-pyrazole; oxalic acid CAS Name: 1-[4-(2-fluorophenoxy)butyl]-3,5-dimethylpyrazole; oxalic acid IUPAC Name: 1-[4-(2-fluorophenoxy)butyl]-3,5-dimethylpyrazole; oxalic acid Traditional Name: 1-[4-(2-fluorophenoxy)butyl]-3,5-dimethyl-pyrazole; oxalic acid Formula: C17H21FN2O5 MolecularWeight: 352.357443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCCOC2=CC=CC=C2F)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=NN1CCCCOC2=CC=CC=C2F)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H19FN2O.C2H2O4/c1-12-11-13(2)18(17-12)9-5-6-10-19-15-8-4-3-7-14(15)16;3-1(4)2(5)6/h3-4,7-8,11H,5-6,9-10H2,1-2H3;(H,3,4)(H,5,6)