methyl 3-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-3-[4-(trifluoromethyloxy)phenyl]propanoate

Systemtic Name: methyl 3-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-3-[4-(trifluoromethyloxy)phenyl]propanoate Openeye Name: methyl 3-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-3-[4-(trifluoromethoxy)phenyl]propanoate CAS Name: 3-[[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]amino]-3-[4-(trifluoromethoxy)phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-3-[4-(trifluoromethoxy)phenyl]propanoate Traditional Name: 3-(piperonylcarbamoylamino)-3-[4-(trifluoromethoxy)phenyl]propionic acid methyl ester Formula: C20H19F3N2O6 MolecularWeight: 440.36987

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=C(C=C1)OC(F)(F)F)NC(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC(=O)CC(C1=CC=C(C=C1)OC(F)(F)F)NC(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H19F3N2O6/c1-28-18(26)9-15(13-3-5-14(6-4-13)31-20(21,22)23)25-19(27)24-10-12-2-7-16-17(8-12)30-11-29-16/h2-8,15H,9-11H2,1H3,(H2,24,25,27)