4-[[4-(3H-1,2-benzodioxol-6-ylmethylamino)-6-cyano-quinazolin-2-yl]-ethyl-amino]butanoic acid

Systemtic Name: 4-[[4-(3H-1,2-benzodioxol-6-ylmethylamino)-6-cyano-quinazolin-2-yl]-ethyl-amino]butanoic acid Openeye Name: 4-[[4-(3H-1,2-benzodioxol-6-ylmethylamino)-6-cyano-quinazolin-2-yl]-ethyl-amino]butanoic acid CAS Name: 4-[[4-(3H-1,2-benzodioxol-6-ylmethylamino)-6-cyano-2-quinazolinyl]-ethylamino]butanoic acid IUPAC Name: 4-[[4-(3H-1,2-benzodioxol-6-ylmethylamino)-6-cyanoquinazolin-2-yl]-ethylamino]butanoic acid Traditional Name: 4-[[4-(3H-1,2-benzodioxol-6-ylmethylamino)-6-cyano-quinazolin-2-yl]-ethyl-amino]butyric acid Formula: C23H23N5O4 MolecularWeight: 433.45982

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCC(=O)O)C1=NC2=C(C=C(C=C2)C#N)C(=N1)NCC3=CC4=C(COO4)C=C3

Isomeric SMILES

CCN(CCCC(=O)O)C1=NC2=C(C=C(C=C2)C#N)C(=N1)NCC3=CC4=C(COO4)C=C3

InChI

InChI=1S/C23H23N5O4/c1-2-28(9-3-4-21(29)30)23-26-19-8-6-15(12-24)10-18(19)22(27-23)25-13-16-5-7-17-14-31-32-20(17)11-16/h5-8,10-11H,2-4,9,13-14H2,1H3,(H,29,30)(H,25,26,27)