8-[[(2S)-2-ethylpiperidin-1-yl]methyl]-7-oxidanyl-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-4-one

Systemtic Name: 8-[[(2S)-2-ethylpiperidin-1-yl]methyl]-7-oxidanyl-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-4-one Openeye Name: 8-[[(2S)-2-ethyl-1-piperidyl]methyl]-7-hydroxy-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-4-one CAS Name: 8-[[(2S)-2-ethyl-1-piperidinyl]methyl]-7-hydroxy-3-(4-phenylphenoxy)-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 8-[[(2S)-2-ethylpiperidin-1-yl]methyl]-7-hydroxy-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-4-one Traditional Name: 8-[[(2S)-2-ethylpiperidino]methyl]-7-hydroxy-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromone Formula: C30H28F3NO4 MolecularWeight: 523.54283

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=C(C=C4)C5=CC=CC=C5)C(F)(F)F)O

Isomeric SMILES

CC[C@H]1CCCCN1CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=C(C=C4)C5=CC=CC=C5)C(F)(F)F)O

InChI

InChI=1S/C30H28F3NO4/c1-2-21-10-6-7-17-34(21)18-24-25(35)16-15-23-26(36)28(29(30(31,32)33)38-27(23)24)37-22-13-11-20(12-14-22)19-8-4-3-5-9-19/h3-5,8-9,11-16,21,35H,2,6-7,10,17-18H2,1H3/t21-/m0/s1