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

Systemtic Name: ethanedioic acid; 1-[5-(2-fluoranylphenoxy)pentyl]-3,5-dimethyl-pyrazole Openeye Name: 1-[5-(2-fluorophenoxy)pentyl]-3,5-dimethyl-pyrazole; oxalic acid CAS Name: 1-[5-(2-fluorophenoxy)pentyl]-3,5-dimethylpyrazole; oxalic acid IUPAC Name: 1-[5-(2-fluorophenoxy)pentyl]-3,5-dimethylpyrazole; oxalic acid Traditional Name: 1-[5-(2-fluorophenoxy)pentyl]-3,5-dimethyl-pyrazole; oxalic acid Formula: C18H23FN2O5 MolecularWeight: 366.384023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCCCOC2=CC=CC=C2F)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=NN1CCCCCOC2=CC=CC=C2F)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H21FN2O.C2H2O4/c1-13-12-14(2)19(18-13)10-6-3-7-11-20-16-9-5-4-8-15(16)17;3-1(4)2(5)6/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3;(H,3,4)(H,5,6)