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

Systemtic Name: 2-(4-ethoxyphenyl)-3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: 2-(4-ethoxyphenyl)-3-(7-methoxybenzofuran-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2H-pyrrol-4-olate CAS Name: 2-(4-ethoxyphenyl)-3-[(7-methoxy-2-benzofuranyl)-oxomethyl]-1-[3-(4-morpholin-4-iumyl)propyl]-5-oxo-2H-pyrrol-4-olate IUPAC Name: 2-(4-ethoxyphenyl)-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: 2-keto-4-(7-methoxybenzofuran-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-p-phenetyl-3-pyrrolin-3-olate Formula: C29H32N2O7 MolecularWeight: 520.57358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C(=C(C(=O)N2CCC[NH+]3CCOCC3)[O-])C(=O)C4=CC5=C(O4)C(=CC=C5)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2C(=C(C(=O)N2CCC[NH+]3CCOCC3)[O-])C(=O)C4=CC5=C(O4)C(=CC=C5)OC

InChI

InChI=1S/C29H32N2O7/c1-3-37-21-10-8-19(9-11-21)25-24(26(32)23-18-20-6-4-7-22(35-2)28(20)38-23)27(33)29(34)31(25)13-5-12-30-14-16-36-17-15-30/h4,6-11,18,25,33H,3,5,12-17H2,1-2H3