(3R,6S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-[[6-(trifluoromethyloxy)quinolin-4-yl]oxymethyl]oxan-3-amine

Systemtic Name: (3R,6S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-[[6-(trifluoromethyloxy)quinolin-4-yl]oxymethyl]oxan-3-amine Openeye Name: (3R,6S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-[[6-(trifluoromethoxy)-4-quinolyl]oxymethyl]tetrahydropyran-3-amine CAS Name: (3R,6S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-[[6-(trifluoromethoxy)-4-quinolinyl]oxymethyl]-3-oxanamine IUPAC Name: (3R,6S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-[[6-(trifluoromethoxy)quinolin-4-yl]oxymethyl]oxan-3-amine Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(3R,6S)-6-[[6-(trifluoromethoxy)-4-quinolyl]oxymethyl]tetrahydropyran-3-yl]amine Formula: C25H25F3N2O5 MolecularWeight: 490.47161

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OCC1NCC2=CC3=C(C=C2)OCCO3)COC4=C5C=C(C=CC5=NC=C4)OC(F)(F)F

Isomeric SMILES

C1C[C@H](OC[C@@H]1NCC2=CC3=C(C=C2)OCCO3)COC4=C5C=C(C=CC5=NC=C4)OC(F)(F)F

InChI

InChI=1S/C25H25F3N2O5/c26-25(27,28)35-18-4-5-21-20(12-18)22(7-8-29-21)34-15-19-3-2-17(14-33-19)30-13-16-1-6-23-24(11-16)32-10-9-31-23/h1,4-8,11-12,17,19,30H,2-3,9-10,13-15H2/t17-,19+/m1/s1