4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-1-[2-(6-methoxyquinolin-4-yl)ethyl]cyclohexan-1-ol

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-1-[2-(6-methoxyquinolin-4-yl)ethyl]cyclohexan-1-ol Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-1-[2-(6-methoxy-4-quinolyl)ethyl]cyclohexanol CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-1-[2-(6-methoxy-4-quinolinyl)ethyl]-1-cyclohexanol IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-1-[2-(6-methoxyquinolin-4-yl)ethyl]cyclohexan-1-ol Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-1-[2-(6-methoxy-4-quinolyl)ethyl]cyclohexanol Formula: C27H32N2O4 MolecularWeight: 448.55398

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)CCC3(CCC(CC3)NCC4=CC5=C(C=C4)OCCO5)O

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)CCC3(CCC(CC3)NCC4=CC5=C(C=C4)OCCO5)O

InChI

InChI=1S/C27H32N2O4/c1-31-22-3-4-24-23(17-22)20(9-13-28-24)6-10-27(30)11-7-21(8-12-27)29-18-19-2-5-25-26(16-19)33-15-14-32-25/h2-5,9,13,16-17,21,29-30H,6-8,10-12,14-15,18H2,1H3