(2S)-1-(3-imidazol-1-ylpropyl)-3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-5-oxidanylidene-2-pyridin-3-yl-2H-pyrrol-4-olate

Systemtic Name: (2S)-1-(3-imidazol-1-ylpropyl)-3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-5-oxidanylidene-2-pyridin-3-yl-2H-pyrrol-4-olate Openeye Name: (2S)-1-(3-imidazol-1-ylpropyl)-3-(7-methoxybenzofuran-2-carbonyl)-5-oxo-2-(3-pyridyl)-2H-pyrrol-4-olate CAS Name: (2S)-1-[3-(1-imidazolyl)propyl]-3-[(7-methoxy-2-benzofuranyl)-oxomethyl]-5-oxo-2-(3-pyridinyl)-2H-pyrrol-4-olate IUPAC Name: (2S)-1-(3-imidazol-1-ylpropyl)-3-(7-methoxy-1-benzofuran-2-carbonyl)-5-oxo-2-pyridin-3-yl-2H-pyrrol-4-olate Traditional Name: (5S)-1-(3-imidazol-1-ylpropyl)-2-keto-4-(7-methoxybenzofuran-2-carbonyl)-5-(3-pyridyl)-3-pyrrolin-3-olate Formula: C25H21N4O5- MolecularWeight: 457.45804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=C2)C(=O)C3=C(C(=O)N(C3C4=CN=CC=C4)CCCN5C=CN=C5)[O-]

Isomeric SMILES

COC1=CC=CC2=C1OC(=C2)C(=O)C3=C(C(=O)N([C@H]3C4=CN=CC=C4)CCCN5C=CN=C5)[O-]

InChI

InChI=1S/C25H22N4O5/c1-33-18-7-2-5-16-13-19(34-24(16)18)22(30)20-21(17-6-3-8-26-14-17)29(25(32)23(20)31)11-4-10-28-12-9-27-15-28/h2-3,5-9,12-15,21,31H,4,10-11H2,1H3/p-1/t21-/m0/s1