methyl 4-[2-[4-[(3-chlorophenyl)amino]-4-oxidanylidene-butanoyl]oxyethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[4-[(3-chlorophenyl)amino]-4-oxidanylidene-butanoyl]oxyethanoylamino]benzoate Openeye Name: methyl 4-[[2-[4-(3-chloroanilino)-4-oxo-butanoyl]oxyacetyl]amino]benzoate CAS Name: 4-[[2-[4-(3-chloroanilino)-1,4-dioxobutoxy]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-(3-chloroanilino)-4-oxobutanoyl]oxyacetyl]amino]benzoate Traditional Name: 4-[[2-[4-(3-chloroanilino)-4-keto-butanoyl]oxyacetyl]amino]benzoic acid methyl ester Formula: C20H19ClN2O6 MolecularWeight: 418.82766

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CCC(=O)NC2=CC(=CC=C2)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CCC(=O)NC2=CC(=CC=C2)Cl

InChI

InChI=1S/C20H19ClN2O6/c1-28-20(27)13-5-7-15(8-6-13)22-18(25)12-29-19(26)10-9-17(24)23-16-4-2-3-14(21)11-16/h2-8,11H,9-10,12H2,1H3,(H,22,25)(H,23,24)