2-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-3-(7-methoxybenzofuran-2-carbonyl)-5-oxo-2H-pyrrol-4-olate CAS Name: 2-(3,4-dimethoxyphenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-3-[(7-methoxy-2-benzofuranyl)-oxomethyl]-5-oxo-2H-pyrrol-4-olate IUPAC Name: 2-(3,4-dimethoxyphenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-3-(7-methoxy-1-benzofuran-2-carbonyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: 5-(3,4-dimethoxyphenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-keto-4-(7-methoxybenzofuran-2-carbonyl)-3-pyrrolin-3-olate Formula: C28H27N3O7 MolecularWeight: 517.52988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(=C(C(=O)N2CCC[N+]3=CNC=C3)[O-])C(=O)C4=CC5=C(O4)C(=CC=C5)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2C(=C(C(=O)N2CCC[N+]3=CNC=C3)[O-])C(=O)C4=CC5=C(O4)C(=CC=C5)OC)OC

InChI

InChI=1S/C28H27N3O7/c1-35-19-9-8-17(14-21(19)37-3)24-23(25(32)22-15-18-6-4-7-20(36-2)27(18)38-22)26(33)28(34)31(24)12-5-11-30-13-10-29-16-30/h4,6-10,13-16,24H,5,11-12H2,1-3H3,(H,32,33)