ethyl 3-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyloxymethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyloxymethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyloxymethyl]benzofuran-2-carboxylate CAS Name: 3-[[1-oxo-3-(1,3,5-trimethyl-4-pyrazolyl)propoxy]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyloxymethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyloxymethyl]coumarilic acid ethyl ester Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)CCC3=C(N(N=C3C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)CCC3=C(N(N=C3C)C)C

InChI

InChI=1S/C21H24N2O5/c1-5-26-21(25)20-17(16-8-6-7-9-18(16)28-20)12-27-19(24)11-10-15-13(2)22-23(4)14(15)3/h6-9H,5,10-12H2,1-4H3