3-(4-ethoxycarbonylphenoxy)-8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate

Systemtic Name: 3-(4-ethoxycarbonylphenoxy)-8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate Openeye Name: 3-(4-ethoxycarbonylphenoxy)-8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-oxo-2-(trifluoromethyl)chromen-7-olate CAS Name: 3-(4-ethoxycarbonylphenoxy)-8-[(4-ethyl-1-piperazin-1-iumyl)methyl]-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 3-(4-ethoxycarbonylphenoxy)-8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-oxo-2-(trifluoromethyl)chromen-7-olate Traditional Name: 3-(4-carbethoxyphenoxy)-8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-keto-2-(trifluoromethyl)chromen-7-olate Formula: C26H27F3N2O6 MolecularWeight: 520.49759

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=C(C=C4)C(=O)OCC)C(F)(F)F)[O-]

Isomeric SMILES

CCN1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=C(C=C4)C(=O)OCC)C(F)(F)F)[O-]

InChI

InChI=1S/C26H27F3N2O6/c1-3-30-11-13-31(14-12-30)15-19-20(32)10-9-18-21(33)23(24(26(27,28)29)37-22(18)19)36-17-7-5-16(6-8-17)25(34)35-4-2/h5-10,32H,3-4,11-15H2,1-2H3