methyl 4-[[4-azanyl-2-[(4-chlorophenyl)carbonylamino]-4-oxidanylidene-butanoyl]oxymethyl]benzoate

Systemtic Name: methyl 4-[[4-azanyl-2-[(4-chlorophenyl)carbonylamino]-4-oxidanylidene-butanoyl]oxymethyl]benzoate Openeye Name: methyl 4-[[4-amino-2-[(4-chlorobenzoyl)amino]-4-oxo-butanoyl]oxymethyl]benzoate CAS Name: 4-[[4-amino-2-[[(4-chlorophenyl)-oxomethyl]amino]-1,4-dioxobutoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-amino-2-[(4-chlorobenzoyl)amino]-4-oxobutanoyl]oxymethyl]benzoate Traditional Name: 4-[[4-amino-2-[(4-chlorobenzoyl)amino]-4-keto-butanoyl]oxymethyl]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)COC(=O)C(CC(=O)N)NC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC(=O)C(CC(=O)N)NC(=O)C2=CC=C(C=C2)Cl

InChI

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