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

Systemtic Name: 4-[[4-(3H-1,2-benzodioxol-6-ylmethylamino)-6-chloranyl-quinazolin-2-yl]-methyl-amino]butanoic acid Openeye Name: 4-[[4-(3H-1,2-benzodioxol-6-ylmethylamino)-6-chloro-quinazolin-2-yl]-methyl-amino]butanoic acid CAS Name: 4-[[4-(3H-1,2-benzodioxol-6-ylmethylamino)-6-chloro-2-quinazolinyl]-methylamino]butanoic acid IUPAC Name: 4-[[4-(3H-1,2-benzodioxol-6-ylmethylamino)-6-chloroquinazolin-2-yl]-methylamino]butanoic acid Traditional Name: 4-[[4-(3H-1,2-benzodioxol-6-ylmethylamino)-6-chloro-quinazolin-2-yl]-methyl-amino]butyric acid Formula: C21H21ClN4O4 MolecularWeight: 428.86884

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)C1=NC2=C(C=C(C=C2)Cl)C(=N1)NCC3=CC4=C(COO4)C=C3

Isomeric SMILES

CN(CCCC(=O)O)C1=NC2=C(C=C(C=C2)Cl)C(=N1)NCC3=CC4=C(COO4)C=C3

InChI

InChI=1S/C21H21ClN4O4/c1-26(8-2-3-19(27)28)21-24-17-7-6-15(22)10-16(17)20(25-21)23-11-13-4-5-14-12-29-30-18(14)9-13/h4-7,9-10H,2-3,8,11-12H2,1H3,(H,27,28)(H,23,24,25)