2-(4-ethoxyphenyl)-3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-1-(2-morpholin-4-ium-4-ylethyl)-5-oxidanylidene-2H-pyrrol-4-olate

Systemtic Name: 2-(4-ethoxyphenyl)-3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-1-(2-morpholin-4-ium-4-ylethyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: 2-(4-ethoxyphenyl)-3-(7-methoxybenzofuran-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2H-pyrrol-4-olate CAS Name: 2-(4-ethoxyphenyl)-3-[(7-methoxy-2-benzofuranyl)-oxomethyl]-1-[2-(4-morpholin-4-iumyl)ethyl]-5-oxo-2H-pyrrol-4-olate IUPAC Name: 2-(4-ethoxyphenyl)-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: 2-keto-4-(7-methoxybenzofuran-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-p-phenetyl-3-pyrrolin-3-olate Formula: C28H30N2O7 MolecularWeight: 506.547

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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=C(O4)C(=CC=C5)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2C(=C(C(=O)N2CC[NH+]3CCOCC3)[O-])C(=O)C4=CC5=C(O4)C(=CC=C5)OC

InChI

InChI=1S/C28H30N2O7/c1-3-36-20-9-7-18(8-10-20)24-23(25(31)22-17-19-5-4-6-21(34-2)27(19)37-22)26(32)28(33)30(24)12-11-29-13-15-35-16-14-29/h4-10,17,24,32H,3,11-16H2,1-2H3