dimethyl 5-[3-(1-phenylpyrazol-4-yl)propanoyloxy]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[3-(1-phenylpyrazol-4-yl)propanoyloxy]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[3-(1-phenylpyrazol-4-yl)propanoyloxy]benzene-1,3-dicarboxylate CAS Name: 5-[1-oxo-3-(1-phenyl-4-pyrazolyl)propoxy]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[3-(1-phenylpyrazol-4-yl)propanoyloxy]benzene-1,3-dicarboxylate Traditional Name: 5-[3-(1-phenylpyrazol-4-yl)propanoyloxy]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H20N2O6 MolecularWeight: 408.404

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)OC(=O)CCC2=CN(N=C2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)OC(=O)CCC2=CN(N=C2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H20N2O6/c1-28-21(26)16-10-17(22(27)29-2)12-19(11-16)30-20(25)9-8-15-13-23-24(14-15)18-6-4-3-5-7-18/h3-7,10-14H,8-9H2,1-2H3