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

Systemtic Name: 3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-1-(2-morpholin-4-ium-4-ylethyl)-5-oxidanylidene-2-(4-propan-2-ylphenyl)-2H-pyrrol-4-olate Openeye Name: 2-(4-isopropylphenyl)-3-(7-methoxybenzofuran-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2H-pyrrol-4-olate CAS Name: 3-[(7-methoxy-2-benzofuranyl)-oxomethyl]-1-[2-(4-morpholin-4-iumyl)ethyl]-5-oxo-2-(4-propan-2-ylphenyl)-2H-pyrrol-4-olate IUPAC Name: 3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2-(4-propan-2-ylphenyl)-2H-pyrrol-4-olate Traditional Name: 2-keto-4-(7-methoxybenzofuran-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-p-cumenyl-3-pyrrolin-3-olate Formula: C29H32N2O6 MolecularWeight: 504.57418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C1=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/C29H32N2O6/c1-18(2)19-7-9-20(10-8-19)25-24(26(32)23-17-21-5-4-6-22(35-3)28(21)37-23)27(33)29(34)31(25)12-11-30-13-15-36-16-14-30/h4-10,17-18,25,33H,11-16H2,1-3H3