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

Systemtic Name: ethyl 4-[8-[(4-methylpiperazin-1-yl)methyl]-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-3-yl]oxybenzoate Openeye Name: ethyl 4-[7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-2-(trifluoromethyl)chromen-3-yl]oxybenzoate CAS Name: 4-[[7-hydroxy-8-[(4-methyl-1-piperazinyl)methyl]-4-oxo-2-(trifluoromethyl)-1-benzopyran-3-yl]oxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-2-(trifluoromethyl)chromen-3-yl]oxybenzoate Traditional Name: 4-[7-hydroxy-4-keto-8-[(4-methylpiperazino)methyl]-2-(trifluoromethyl)chromen-3-yl]oxybenzoic acid ethyl ester Formula: C25H25F3N2O6 MolecularWeight: 506.47101

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3CN4CCN(CC4)C)O)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3CN4CCN(CC4)C)O)C(F)(F)F

InChI

InChI=1S/C25H25F3N2O6/c1-3-34-24(33)15-4-6-16(7-5-15)35-22-20(32)17-8-9-19(31)18(14-30-12-10-29(2)11-13-30)21(17)36-23(22)25(26,27)28/h4-9,31H,3,10-14H2,1-2H3