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

Systemtic Name: (2S)-1-[3-(diethylazaniumyl)propyl]-3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-5-oxidanylidene-2-pyridin-2-yl-2H-pyrrol-4-olate Openeye Name: (2S)-1-[3-(diethylammonio)propyl]-3-(7-methoxybenzofuran-2-carbonyl)-5-oxo-2-(2-pyridyl)-2H-pyrrol-4-olate CAS Name: (2S)-1-[3-(diethylammonio)propyl]-3-[(7-methoxy-2-benzofuranyl)-oxomethyl]-5-oxo-2-(2-pyridinyl)-2H-pyrrol-4-olate IUPAC Name: (2S)-1-[3-(diethylazaniumyl)propyl]-3-(7-methoxy-1-benzofuran-2-carbonyl)-5-oxo-2-pyridin-2-yl-2H-pyrrol-4-olate Traditional Name: (5S)-1-[3-(diethylammonio)propyl]-2-keto-4-(7-methoxybenzofuran-2-carbonyl)-5-(2-pyridyl)-3-pyrrolin-3-olate Formula: C26H29N3O5 MolecularWeight: 463.52556

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN1C(C(=C(C1=O)[O-])C(=O)C2=CC3=C(O2)C(=CC=C3)OC)C4=CC=CC=N4

Isomeric SMILES

CC[NH+](CC)CCCN1[C@@H](C(=C(C1=O)[O-])C(=O)C2=CC3=C(O2)C(=CC=C3)OC)C4=CC=CC=N4

InChI

InChI=1S/C26H29N3O5/c1-4-28(5-2)14-9-15-29-22(18-11-6-7-13-27-18)21(24(31)26(29)32)23(30)20-16-17-10-8-12-19(33-3)25(17)34-20/h6-8,10-13,16,22,31H,4-5,9,14-15H2,1-3H3/t22-/m1/s1