[2-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [2-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 3-(phenoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(phenoxymethyl)-2-benzofurancarboxylic acid [2-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(phenoxymethyl)coumarilic acid [2-keto-2-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]ethyl] ester Formula: C31H27NO6 MolecularWeight: 509.54918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C(=O)COC(=O)C3=C(C4=CC=CC=C4O3)COC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C(=O)COC(=O)C3=C(C4=CC=CC=C4O3)COC5=CC=CC=C5

InChI

InChI=1S/C31H27NO6/c1-20-17-26(21(2)32(20)22-13-15-23(35-3)16-14-22)28(33)19-37-31(34)30-27(18-36-24-9-5-4-6-10-24)25-11-7-8-12-29(25)38-30/h4-17H,18-19H2,1-3H3