[8-[(4-methylpiperidin-1-yl)methyl]-4-oxidanylidene-2-(trifluoromethyl)-3-(2,3,5-trimethylphenoxy)chromen-7-yl] 4-fluoranylbenzoate

Systemtic Name: [8-[(4-methylpiperidin-1-yl)methyl]-4-oxidanylidene-2-(trifluoromethyl)-3-(2,3,5-trimethylphenoxy)chromen-7-yl] 4-fluoranylbenzoate Openeye Name: [8-[(4-methyl-1-piperidyl)methyl]-4-oxo-2-(trifluoromethyl)-3-(2,3,5-trimethylphenoxy)chromen-7-yl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [8-[(4-methyl-1-piperidinyl)methyl]-4-oxo-2-(trifluoromethyl)-3-(2,3,5-trimethylphenoxy)-1-benzopyran-7-yl] ester IUPAC Name: [8-[(4-methylpiperidin-1-yl)methyl]-4-oxo-2-(trifluoromethyl)-3-(2,3,5-trimethylphenoxy)chromen-7-yl] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [4-keto-8-[(4-methylpiperidino)methyl]-2-(trifluoromethyl)-3-(2,3,5-trimethylphenoxy)chromen-7-yl] ester Formula: C33H31F4NO5 MolecularWeight: 597.596553

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC(=CC(=C4C)C)C)C(F)(F)F)OC(=O)C5=CC=C(C=C5)F

Isomeric SMILES

CC1CCN(CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC(=CC(=C4C)C)C)C(F)(F)F)OC(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C33H31F4NO5/c1-18-11-13-38(14-12-18)17-25-26(42-32(40)22-5-7-23(34)8-6-22)10-9-24-28(39)30(31(33(35,36)37)43-29(24)25)41-27-16-19(2)15-20(3)21(27)4/h5-10,15-16,18H,11-14,17H2,1-4H3