2-(4-ethoxyphenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-5-oxidanylidene-2H-pyrrol-4-olate

Systemtic Name: 2-(4-ethoxyphenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: 2-(4-ethoxyphenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-3-(7-methoxybenzofuran-2-carbonyl)-5-oxo-2H-pyrrol-4-olate CAS Name: 2-(4-ethoxyphenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-3-[(7-methoxy-2-benzofuranyl)-oxomethyl]-5-oxo-2H-pyrrol-4-olate IUPAC Name: 2-(4-ethoxyphenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-3-(7-methoxy-1-benzofuran-2-carbonyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: 1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-keto-4-(7-methoxybenzofuran-2-carbonyl)-5-p-phenetyl-3-pyrrolin-3-olate Formula: C28H27N3O6 MolecularWeight: 501.53048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C(=C(C(=O)N2CCC[N+]3=CNC=C3)[O-])C(=O)C4=CC5=C(O4)C(=CC=C5)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2C(=C(C(=O)N2CCC[N+]3=CNC=C3)[O-])C(=O)C4=CC5=C(O4)C(=CC=C5)OC

InChI

InChI=1S/C28H27N3O6/c1-3-36-20-10-8-18(9-11-20)24-23(25(32)22-16-19-6-4-7-21(35-2)27(19)37-22)26(33)28(34)31(24)14-5-13-30-15-12-29-17-30/h4,6-12,15-17,24H,3,5,13-14H2,1-2H3,(H,32,33)