N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[(6-methoxyquinolin-4-yl)oxymethyl]cyclohexan-1-amine

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[(6-methoxyquinolin-4-yl)oxymethyl]cyclohexan-1-amine Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[(6-methoxy-4-quinolyl)oxymethyl]cyclohexanamine CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[(6-methoxy-4-quinolinyl)oxymethyl]-1-cyclohexanamine IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[(6-methoxyquinolin-4-yl)oxymethyl]cyclohexan-1-amine Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[4-[(6-methoxy-4-quinolyl)oxymethyl]cyclohexyl]amine Formula: C26H30N2O4 MolecularWeight: 434.5274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)OCC3CCC(CC3)NCC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)OCC3CCC(CC3)NCC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C26H30N2O4/c1-29-21-7-8-23-22(15-21)24(10-11-27-23)32-17-18-2-5-20(6-3-18)28-16-19-4-9-25-26(14-19)31-13-12-30-25/h4,7-11,14-15,18,20,28H,2-3,5-6,12-13,16-17H2,1H3