[2-[1-(6-methoxy-6-oxidanylidene-hexyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 1-benzofuran-2-carboxylate

Systemtic Name: [2-[1-(6-methoxy-6-oxidanylidene-hexyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 1-benzofuran-2-carboxylate Openeye Name: [2-[1-(6-methoxy-6-oxo-hexyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] benzofuran-2-carboxylate CAS Name: 2-benzofurancarboxylic acid [2-[1-(6-methoxy-6-oxohexyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(6-methoxy-6-oxohexyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 1-benzofuran-2-carboxylate Traditional Name: coumarilic acid [2-keto-2-[1-(6-keto-6-methoxy-hexyl)-2,5-dimethyl-pyrrol-3-yl]ethyl] ester Formula: C24H27NO6 MolecularWeight: 425.47428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCCCCC(=O)OC)C)C(=O)COC(=O)C2=CC3=CC=CC=C3O2

Isomeric SMILES

CC1=CC(=C(N1CCCCCC(=O)OC)C)C(=O)COC(=O)C2=CC3=CC=CC=C3O2

InChI

InChI=1S/C24H27NO6/c1-16-13-19(17(2)25(16)12-8-4-5-11-23(27)29-3)20(26)15-30-24(28)22-14-18-9-6-7-10-21(18)31-22/h6-7,9-10,13-14H,4-5,8,11-12,15H2,1-3H3