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

Systemtic Name: 8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-oxidanylidene-3-(4-propoxycarbonylphenoxy)-2-(trifluoromethyl)chromen-7-olate Openeye Name: 8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-oxo-3-(4-propoxycarbonylphenoxy)-2-(trifluoromethyl)chromen-7-olate CAS Name: 8-[(4-ethyl-1-piperazin-1-iumyl)methyl]-4-oxo-3-[4-[oxo(propoxy)methyl]phenoxy]-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-oxo-3-(4-propoxycarbonylphenoxy)-2-(trifluoromethyl)chromen-7-olate Traditional Name: 8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-keto-3-(4-propoxycarbonylphenoxy)-2-(trifluoromethyl)chromen-7-olate Formula: C27H29F3N2O6 MolecularWeight: 534.52417

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCN(CC4)CC)[O-])C(F)(F)F

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCN(CC4)CC)[O-])C(F)(F)F

InChI

InChI=1S/C27H29F3N2O6/c1-3-15-36-26(35)17-5-7-18(8-6-17)37-24-22(34)19-9-10-21(33)20(23(19)38-25(24)27(28,29)30)16-32-13-11-31(4-2)12-14-32/h5-10,33H,3-4,11-16H2,1-2H3