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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[3-[(6-methoxyquinolin-4-yl)oxymethyl]cyclohexyl]methanamine Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[3-[(6-methoxy-4-quinolyl)oxymethyl]cyclohexyl]methanamine CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[3-[(6-methoxy-4-quinolinyl)oxymethyl]cyclohexyl]methanamine IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[3-[(6-methoxyquinolin-4-yl)oxymethyl]cyclohexyl]methanamine Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[[3-[(6-methoxy-4-quinolyl)oxymethyl]cyclohexyl]methyl]amine Formula: C27H32N2O4 MolecularWeight: 448.55398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)OCC3CCCC(C3)CNCC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)OCC3CCCC(C3)CNCC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C27H32N2O4/c1-30-22-6-7-24-23(15-22)25(9-10-29-24)33-18-21-4-2-3-19(13-21)16-28-17-20-5-8-26-27(14-20)32-12-11-31-26/h5-10,14-15,19,21,28H,2-4,11-13,16-18H2,1H3