(2R)-3-(1-benzofuran-2-ylcarbonyl)-2-(4-dimethylaminophenyl)-1-(3-imidazol-1-ylpropyl)-5-oxidanylidene-2H-pyrrol-4-olate

Systemtic Name: (2R)-3-(1-benzofuran-2-ylcarbonyl)-2-(4-dimethylaminophenyl)-1-(3-imidazol-1-ylpropyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: (2R)-3-(benzofuran-2-carbonyl)-2-(4-dimethylaminophenyl)-1-(3-imidazol-1-ylpropyl)-5-oxo-2H-pyrrol-4-olate CAS Name: (2R)-3-[2-benzofuranyl(oxo)methyl]-2-(4-dimethylaminophenyl)-1-[3-(1-imidazolyl)propyl]-5-oxo-2H-pyrrol-4-olate IUPAC Name: (2R)-3-(1-benzofuran-2-carbonyl)-2-(4-dimethylaminophenyl)-1-(3-imidazol-1-ylpropyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: (5R)-4-(benzofuran-2-carbonyl)-5-(4-dimethylaminophenyl)-1-(3-imidazol-1-ylpropyl)-2-keto-3-pyrrolin-3-olate Formula: C27H25N4O4- MolecularWeight: 469.5118

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2C(=C(C(=O)N2CCCN3C=CN=C3)[O-])C(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)[C@@H]2C(=C(C(=O)N2CCCN3C=CN=C3)[O-])C(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C27H26N4O4/c1-29(2)20-10-8-18(9-11-20)24-23(25(32)22-16-19-6-3-4-7-21(19)35-22)26(33)27(34)31(24)14-5-13-30-15-12-28-17-30/h3-4,6-12,15-17,24,33H,5,13-14H2,1-2H3/p-1/t24-/m1/s1