dimethyl 5-[2-(4-oxidanylidene-4-phenyl-butanoyl)oxyethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(4-oxidanylidene-4-phenyl-butanoyl)oxyethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(4-oxo-4-phenyl-butanoyl)oxyacetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-(1,4-dioxo-4-phenylbutoxy)-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(4-oxo-4-phenylbutanoyl)oxyacetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(4-keto-4-phenyl-butanoyl)oxyacetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H21NO8 MolecularWeight: 427.40404

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)COC(=O)CCC(=O)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)COC(=O)CCC(=O)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C22H21NO8/c1-29-21(27)15-10-16(22(28)30-2)12-17(11-15)23-19(25)13-31-20(26)9-8-18(24)14-6-4-3-5-7-14/h3-7,10-12H,8-9,13H2,1-2H3,(H,23,25)