dimethyl 5-[2-[3-(1,3-benzodioxol-5-yl)propanoyloxy]ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-[3-(1,3-benzodioxol-5-yl)propanoyloxy]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-[3-(1,3-benzodioxol-5-yl)propanoyloxy]acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[3-(1,3-benzodioxol-5-yl)-1-oxopropoxy]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-[3-(1,3-benzodioxol-5-yl)propanoyloxy]acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[3-(1,3-benzodioxol-5-yl)propanoyloxy]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H21NO9 MolecularWeight: 443.40344

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)COC(=O)CCC2=CC3=C(C=C2)OCO3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)COC(=O)CCC2=CC3=C(C=C2)OCO3)C(=O)OC

InChI

InChI=1S/C22H21NO9/c1-28-21(26)14-8-15(22(27)29-2)10-16(9-14)23-19(24)11-30-20(25)6-4-13-3-5-17-18(7-13)32-12-31-17/h3,5,7-10H,4,6,11-12H2,1-2H3,(H,23,24)