[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(4-fluorophenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(4-fluorophenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxo-ethyl] 4-(4-fluorophenyl)-4-oxo-butanoate CAS Name: 4-(4-fluorophenyl)-4-oxobutanoic acid [2-[[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate Traditional Name: 4-(4-fluorophenyl)-4-keto-butyric acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H19FN2O7 MolecularWeight: 430.383163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)NC(=O)COC(=O)CCC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)NC(=O)COC(=O)CCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H19FN2O7/c22-14-3-1-13(2-4-14)16(25)6-8-20(27)31-12-19(26)24-21(28)23-15-5-7-17-18(11-15)30-10-9-29-17/h1-5,7,11H,6,8-10,12H2,(H2,23,24,26,28)