(2S)-2-(2,4-dimethoxyphenyl)-3-(furan-2-ylcarbonyl)-1-(3-imidazol-1-ylpropyl)-5-oxidanylidene-2H-pyrrol-4-olate

Systemtic Name: (2S)-2-(2,4-dimethoxyphenyl)-3-(furan-2-ylcarbonyl)-1-(3-imidazol-1-ylpropyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: (2S)-2-(2,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-1-(3-imidazol-1-ylpropyl)-5-oxo-2H-pyrrol-4-olate CAS Name: (2S)-2-(2,4-dimethoxyphenyl)-3-[2-furanyl(oxo)methyl]-1-[3-(1-imidazolyl)propyl]-5-oxo-2H-pyrrol-4-olate IUPAC Name: (2S)-2-(2,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-1-(3-imidazol-1-ylpropyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: (5S)-5-(2,4-dimethoxyphenyl)-4-(2-furoyl)-1-(3-imidazol-1-ylpropyl)-2-keto-3-pyrrolin-3-olate Formula: C23H22N3O6- MolecularWeight: 436.43728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2C(=C(C(=O)N2CCCN3C=CN=C3)[O-])C(=O)C4=CC=CO4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)[C@H]2C(=C(C(=O)N2CCCN3C=CN=C3)[O-])C(=O)C4=CC=CO4)OC

InChI

InChI=1S/C23H23N3O6/c1-30-15-6-7-16(18(13-15)31-2)20-19(21(27)17-5-3-12-32-17)22(28)23(29)26(20)10-4-9-25-11-8-24-14-25/h3,5-8,11-14,20,28H,4,9-10H2,1-2H3/p-1/t20-/m0/s1