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

Systemtic Name: 3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-2-(4-methylphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: 3-(7-methoxybenzofuran-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2-(p-tolyl)-2H-pyrrol-4-olate CAS Name: 3-[(7-methoxy-2-benzofuranyl)-oxomethyl]-2-(4-methylphenyl)-1-[3-(4-morpholin-4-iumyl)propyl]-5-oxo-2H-pyrrol-4-olate IUPAC Name: 3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(4-methylphenyl)-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-tolyl)-3-pyrrolin-3-olate Formula: C28H30N2O6 MolecularWeight: 490.5476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(=C(C(=O)N2CCC[NH+]3CCOCC3)[O-])C(=O)C4=CC5=C(O4)C(=CC=C5)OC

Isomeric SMILES

CC1=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/C28H30N2O6/c1-18-7-9-19(10-8-18)24-23(25(31)22-17-20-5-3-6-21(34-2)27(20)36-22)26(32)28(33)30(24)12-4-11-29-13-15-35-16-14-29/h3,5-10,17,24,32H,4,11-16H2,1-2H3