methyl 4-[2-[5-[(4-fluorophenyl)amino]-5-oxidanylidene-pentanoyl]oxyethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[5-[(4-fluorophenyl)amino]-5-oxidanylidene-pentanoyl]oxyethanoylamino]benzoate Openeye Name: methyl 4-[[2-[5-(4-fluoroanilino)-5-oxo-pentanoyl]oxyacetyl]amino]benzoate CAS Name: 4-[[2-[5-(4-fluoroanilino)-1,5-dioxopentoxy]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[5-(4-fluoroanilino)-5-oxopentanoyl]oxyacetyl]amino]benzoate Traditional Name: 4-[[2-[5-(4-fluoroanilino)-5-keto-pentanoyl]oxyacetyl]amino]benzoic acid methyl ester Formula: C21H21FN2O6 MolecularWeight: 416.399643

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CCCC(=O)NC2=CC=C(C=C2)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CCCC(=O)NC2=CC=C(C=C2)F

InChI

InChI=1S/C21H21FN2O6/c1-29-21(28)14-5-9-16(10-6-14)24-19(26)13-30-20(27)4-2-3-18(25)23-17-11-7-15(22)8-12-17/h5-12H,2-4,13H2,1H3,(H,23,25)(H,24,26)