ethyl 4-[8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-3-yl]oxybenzoate

Systemtic Name: ethyl 4-[8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-3-yl]oxybenzoate Openeye Name: ethyl 4-[8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-3-yl]oxybenzoate CAS Name: 4-[[8-[(4-ethyl-1-piperazin-4-iumyl)methyl]-7-hydroxy-4-oxo-2-(trifluoromethyl)-1-benzopyran-3-yl]oxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-3-yl]oxybenzoate Traditional Name: 4-[8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-7-hydroxy-4-keto-2-(trifluoromethyl)chromen-3-yl]oxybenzoic acid ethyl ester Formula: C26H28F3N2O6+ MolecularWeight: 521.50553

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=C(C=C4)C(=O)OCC)C(F)(F)F)O

Isomeric SMILES

CC[NH+]1CCN(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/p+1