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

Systemtic Name: 8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-oxidanylidene-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-7-olate Openeye Name: 8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-oxo-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-7-olate CAS Name: 8-[(4-ethyl-1-piperazin-1-iumyl)methyl]-4-oxo-3-(4-phenylphenoxy)-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-oxo-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-7-olate Traditional Name: 8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-keto-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-7-olate Formula: C29H27F3N2O4 MolecularWeight: 524.53089

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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)C5=CC=CC=C5)C(F)(F)F)[O-]

Isomeric SMILES

CCN1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=C(C=C4)C5=CC=CC=C5)C(F)(F)F)[O-]

InChI

InChI=1S/C29H27F3N2O4/c1-2-33-14-16-34(17-15-33)18-23-24(35)13-12-22-25(36)27(28(29(30,31)32)38-26(22)23)37-21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-13,35H,2,14-18H2,1H3