[2-[1-(3-methoxy-3-oxidanylidene-propyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 1-benzofuran-2-carboxylate

Systemtic Name: [2-[1-(3-methoxy-3-oxidanylidene-propyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 1-benzofuran-2-carboxylate Openeye Name: [2-[1-(3-methoxy-3-oxo-propyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] benzofuran-2-carboxylate CAS Name: 2-benzofurancarboxylic acid [2-[1-(3-methoxy-3-oxopropyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(3-methoxy-3-oxopropyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 1-benzofuran-2-carboxylate Traditional Name: coumarilic acid [2-keto-2-[1-(3-keto-3-methoxy-propyl)-2,5-dimethyl-pyrrol-3-yl]ethyl] ester Formula: C21H21NO6 MolecularWeight: 383.39454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC(=O)OC)C)C(=O)COC(=O)C2=CC3=CC=CC=C3O2

Isomeric SMILES

CC1=CC(=C(N1CCC(=O)OC)C)C(=O)COC(=O)C2=CC3=CC=CC=C3O2

InChI

InChI=1S/C21H21NO6/c1-13-10-16(14(2)22(13)9-8-20(24)26-3)17(23)12-27-21(25)19-11-15-6-4-5-7-18(15)28-19/h4-7,10-11H,8-9,12H2,1-3H3