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

Systemtic Name: methyl 4-[8-[(3-methylpiperidin-1-yl)methyl]-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-3-yl]oxybenzoate Openeye Name: methyl 4-[7-hydroxy-8-[(3-methyl-1-piperidyl)methyl]-4-oxo-2-(trifluoromethyl)chromen-3-yl]oxybenzoate CAS Name: 4-[[7-hydroxy-8-[(3-methyl-1-piperidinyl)methyl]-4-oxo-2-(trifluoromethyl)-1-benzopyran-3-yl]oxy]benzoic acid methyl ester IUPAC Name: methyl 4-[7-hydroxy-8-[(3-methylpiperidin-1-yl)methyl]-4-oxo-2-(trifluoromethyl)chromen-3-yl]oxybenzoate Traditional Name: 4-[7-hydroxy-4-keto-8-[(3-methylpiperidino)methyl]-2-(trifluoromethyl)chromen-3-yl]oxybenzoic acid methyl ester Formula: C25H24F3NO6 MolecularWeight: 491.45637

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=C(C=C4)C(=O)OC)C(F)(F)F)O

Isomeric SMILES

CC1CCCN(C1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=C(C=C4)C(=O)OC)C(F)(F)F)O

InChI

InChI=1S/C25H24F3NO6/c1-14-4-3-11-29(12-14)13-18-19(30)10-9-17-20(31)22(23(25(26,27)28)35-21(17)18)34-16-7-5-15(6-8-16)24(32)33-2/h5-10,14,30H,3-4,11-13H2,1-2H3