3-(1-benzofuran-2-ylcarbonyl)-2-(4-ethoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxidanylidene-2H-pyrrol-4-olate

Systemtic Name: 3-(1-benzofuran-2-ylcarbonyl)-2-(4-ethoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: 3-(benzofuran-2-carbonyl)-2-(4-ethoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2H-pyrrol-4-olate CAS Name: 3-[2-benzofuranyl(oxo)methyl]-2-(4-ethoxyphenyl)-1-[2-(4-morpholin-4-iumyl)ethyl]-5-oxo-2H-pyrrol-4-olate IUPAC Name: 3-(1-benzofuran-2-carbonyl)-2-(4-ethoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: 4-(benzofuran-2-carbonyl)-2-keto-1-(2-morpholin-4-ium-4-ylethyl)-5-p-phenetyl-3-pyrrolin-3-olate Formula: C27H28N2O6 MolecularWeight: 476.52102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C(=C(C(=O)N2CC[NH+]3CCOCC3)[O-])C(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2C(=C(C(=O)N2CC[NH+]3CCOCC3)[O-])C(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C27H28N2O6/c1-2-34-20-9-7-18(8-10-20)24-23(25(30)22-17-19-5-3-4-6-21(19)35-22)26(31)27(32)29(24)12-11-28-13-15-33-16-14-28/h3-10,17,24,31H,2,11-16H2,1H3