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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=C(C=C4)C(=O)OC)C(F)(F)F)O

Isomeric SMILES

CCN1CCN(CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=C(C=C4)C(=O)OC)C(F)(F)F)O

InChI

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