4-[4-(1,3-benzodioxol-5-ylmethylamino)-6-cyano-quinazolin-2-yl]oxybutanoic acid

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethylamino)-6-cyano-quinazolin-2-yl]oxybutanoic acid Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethylamino)-6-cyano-quinazolin-2-yl]oxybutanoic acid CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethylamino)-6-cyano-2-quinazolinyl]oxy]butanoic acid IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethylamino)-6-cyanoquinazolin-2-yl]oxybutanoic acid Traditional Name: 4-[6-cyano-4-(piperonylamino)quinazolin-2-yl]oxybutyric acid Formula: C21H18N4O5 MolecularWeight: 406.39142

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=NC(=NC4=C3C=C(C=C4)C#N)OCCCC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NC(=NC4=C3C=C(C=C4)C#N)OCCCC(=O)O

InChI

InChI=1S/C21H18N4O5/c22-10-13-3-5-16-15(8-13)20(25-21(24-16)28-7-1-2-19(26)27)23-11-14-4-6-17-18(9-14)30-12-29-17/h3-6,8-9H,1-2,7,11-12H2,(H,26,27)(H,23,24,25)