[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl] 3-(ethoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(ethoxymethyl)-2-benzofurancarboxylic acid [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(ethoxymethyl)coumarilic acid [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl] ester Formula: C22H23NO6 MolecularWeight: 397.42112

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(OC2=CC=CC=C21)C(=O)OCC(=O)C3=C(C(=C(N3)C)C(=O)C)C

Isomeric SMILES

CCOCC1=C(OC2=CC=CC=C21)C(=O)OCC(=O)C3=C(C(=C(N3)C)C(=O)C)C

InChI

InChI=1S/C22H23NO6/c1-5-27-10-16-15-8-6-7-9-18(15)29-21(16)22(26)28-11-17(25)20-12(2)19(14(4)24)13(3)23-20/h6-9,23H,5,10-11H2,1-4H3