[4-(1,3-benzodioxol-5-ylmethylamino)-6-methoxy-quinazolin-2-yl]methyl benzoate

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethylamino)-6-methoxy-quinazolin-2-yl]methyl benzoate Openeye Name: [4-(1,3-benzodioxol-5-ylmethylamino)-6-methoxy-quinazolin-2-yl]methyl benzoate CAS Name: benzoic acid [4-(1,3-benzodioxol-5-ylmethylamino)-6-methoxy-2-quinazolinyl]methyl ester IUPAC Name: [4-(1,3-benzodioxol-5-ylmethylamino)-6-methoxyquinazolin-2-yl]methyl benzoate Traditional Name: benzoic acid [6-methoxy-4-(piperonylamino)quinazolin-2-yl]methyl ester Formula: C25H21N3O5 MolecularWeight: 443.45134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N=C2NCC3=CC4=C(C=C3)OCO4)COC(=O)C5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N=C2NCC3=CC4=C(C=C3)OCO4)COC(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H21N3O5/c1-30-18-8-9-20-19(12-18)24(26-13-16-7-10-21-22(11-16)33-15-32-21)28-23(27-20)14-31-25(29)17-5-3-2-4-6-17/h2-12H,13-15H2,1H3,(H,26,27,28)