3-(4-chloranylphenoxy)-7-oxidanyl-8-(piperidin-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one

Systemtic Name: 3-(4-chloranylphenoxy)-7-oxidanyl-8-(piperidin-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one Openeye Name: 3-(4-chlorophenoxy)-7-hydroxy-8-(1-piperidylmethyl)-2-(trifluoromethyl)chromen-4-one CAS Name: 3-(4-chlorophenoxy)-7-hydroxy-8-(1-piperidinylmethyl)-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 3-(4-chlorophenoxy)-7-hydroxy-8-(piperidin-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one Traditional Name: 3-(4-chlorophenoxy)-7-hydroxy-8-(piperidinomethyl)-2-(trifluoromethyl)chromone Formula: C22H19ClF3NO4 MolecularWeight: 453.83877

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=C(C=C4)Cl)C(F)(F)F)O

Isomeric SMILES

C1CCN(CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=C(C=C4)Cl)C(F)(F)F)O

InChI

InChI=1S/C22H19ClF3NO4/c23-13-4-6-14(7-5-13)30-20-18(29)15-8-9-17(28)16(12-27-10-2-1-3-11-27)19(15)31-21(20)22(24,25)26/h4-9,28H,1-3,10-12H2