methyl 3-(4-fluorophenyl)-3-[3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanoylamino]propanoate

Systemtic Name: methyl 3-(4-fluorophenyl)-3-[3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanoylamino]propanoate Openeye Name: methyl 3-(4-fluorophenyl)-3-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]propanoate CAS Name: 3-(4-fluorophenyl)-3-[[1-oxo-3-(3-oxo-1,4-benzoxazin-4-yl)propyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(4-fluorophenyl)-3-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]propanoate Traditional Name: 3-(4-fluorophenyl)-3-[3-(3-keto-1,4-benzoxazin-4-yl)propanoylamino]propionic acid methyl ester Formula: C21H21FN2O5 MolecularWeight: 400.400243

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=C(C=C1)F)NC(=O)CCN2C(=O)COC3=CC=CC=C32

Isomeric SMILES

COC(=O)CC(C1=CC=C(C=C1)F)NC(=O)CCN2C(=O)COC3=CC=CC=C32

InChI

InChI=1S/C21H21FN2O5/c1-28-21(27)12-16(14-6-8-15(22)9-7-14)23-19(25)10-11-24-17-4-2-3-5-18(17)29-13-20(24)26/h2-9,16H,10-13H2,1H3,(H,23,25)