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

Systemtic Name: 8-[[(2S)-2-methylpiperidin-1-yl]methyl]-7-oxidanyl-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-4-one Openeye Name: 7-hydroxy-8-[[(2S)-2-methyl-1-piperidyl]methyl]-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-4-one CAS Name: 7-hydroxy-8-[[(2S)-2-methyl-1-piperidinyl]methyl]-3-(4-phenylphenoxy)-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 7-hydroxy-8-[[(2S)-2-methylpiperidin-1-yl]methyl]-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-4-one Traditional Name: 7-hydroxy-8-[[(2S)-2-methylpiperidino]methyl]-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromone Formula: C29H26F3NO4 MolecularWeight: 509.51625

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=C(C=C4)C5=CC=CC=C5)C(F)(F)F)O

Isomeric SMILES

C[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/C29H26F3NO4/c1-18-7-5-6-16-33(18)17-23-24(34)15-14-22-25(35)27(28(29(30,31)32)37-26(22)23)36-21-12-10-20(11-13-21)19-8-3-2-4-9-19/h2-4,8-15,18,34H,5-7,16-17H2,1H3/t18-/m0/s1