4-[[4-(3H-1,2-benzodioxol-6-ylmethylamino)-8-cyano-quinazolin-2-yl]-ethyl-amino]butanoic acid

Systemtic Name: 4-[[4-(3H-1,2-benzodioxol-6-ylmethylamino)-8-cyano-quinazolin-2-yl]-ethyl-amino]butanoic acid Openeye Name: 4-[[4-(3H-1,2-benzodioxol-6-ylmethylamino)-8-cyano-quinazolin-2-yl]-ethyl-amino]butanoic acid CAS Name: 4-[[4-(3H-1,2-benzodioxol-6-ylmethylamino)-8-cyano-2-quinazolinyl]-ethylamino]butanoic acid IUPAC Name: 4-[[4-(3H-1,2-benzodioxol-6-ylmethylamino)-8-cyanoquinazolin-2-yl]-ethylamino]butanoic acid Traditional Name: 4-[[4-(3H-1,2-benzodioxol-6-ylmethylamino)-8-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=CC=C2C(=N1)NCC3=CC4=C(COO4)C=C3)C#N

Isomeric SMILES

CCN(CCCC(=O)O)C1=NC2=C(C=CC=C2C(=N1)NCC3=CC4=C(COO4)C=C3)C#N

InChI

InChI=1S/C23H23N5O4/c1-2-28(10-4-7-20(29)30)23-26-21-16(12-24)5-3-6-18(21)22(27-23)25-13-15-8-9-17-14-31-32-19(17)11-15/h3,5-6,8-9,11H,2,4,7,10,13-14H2,1H3,(H,29,30)(H,25,26,27)