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

Systemtic Name: ethyl 4-[[4-(3H-1,2-benzodioxol-6-ylmethylamino)-6-chloranyl-quinazolin-2-yl]-methyl-amino]butanoate Openeye Name: ethyl 4-[[4-(3H-1,2-benzodioxol-6-ylmethylamino)-6-chloro-quinazolin-2-yl]-methyl-amino]butanoate CAS Name: 4-[[4-(3H-1,2-benzodioxol-6-ylmethylamino)-6-chloro-2-quinazolinyl]-methylamino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(3H-1,2-benzodioxol-6-ylmethylamino)-6-chloroquinazolin-2-yl]-methylamino]butanoate Traditional Name: 4-[[4-(3H-1,2-benzodioxol-6-ylmethylamino)-6-chloro-quinazolin-2-yl]-methyl-amino]butyric acid ethyl ester Formula: C23H25ClN4O4 MolecularWeight: 456.922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN(C)C1=NC2=C(C=C(C=C2)Cl)C(=N1)NCC3=CC4=C(COO4)C=C3

Isomeric SMILES

CCOC(=O)CCCN(C)C1=NC2=C(C=C(C=C2)Cl)C(=N1)NCC3=CC4=C(COO4)C=C3

InChI

InChI=1S/C23H25ClN4O4/c1-3-30-21(29)5-4-10-28(2)23-26-19-9-8-17(24)12-18(19)22(27-23)25-13-15-6-7-16-14-31-32-20(16)11-15/h6-9,11-12H,3-5,10,13-14H2,1-2H3,(H,25,26,27)