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

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-1-[2-(6-methoxyquinazolin-4-yl)ethyl]cyclohexan-1-ol Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-1-[2-(6-methoxyquinazolin-4-yl)ethyl]cyclohexanol CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-1-[2-(6-methoxy-4-quinazolinyl)ethyl]-1-cyclohexanol IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-1-[2-(6-methoxyquinazolin-4-yl)ethyl]cyclohexan-1-ol Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-1-[2-(6-methoxyquinazolin-4-yl)ethyl]cyclohexanol Formula: C26H31N3O4 MolecularWeight: 449.54204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=CN=C2CCC3(CCC(CC3)NCC4=CC5=C(C=C4)OCCO5)O

Isomeric SMILES

COC1=CC2=C(C=C1)N=CN=C2CCC3(CCC(CC3)NCC4=CC5=C(C=C4)OCCO5)O

InChI

InChI=1S/C26H31N3O4/c1-31-20-3-4-22-21(15-20)23(29-17-28-22)8-11-26(30)9-6-19(7-10-26)27-16-18-2-5-24-25(14-18)33-13-12-32-24/h2-5,14-15,17,19,27,30H,6-13,16H2,1H3