1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-methoxy-quinazolin-2-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-methoxy-quinazolin-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-methoxy-quinazolin-2-yl]piperidine-4-carboxylic acid CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-methoxy-2-quinazolinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-methoxyquinazolin-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-methoxy-4-(piperonylamino)quinazolin-2-yl]isonipecotic acid Formula: C23H24N4O5 MolecularWeight: 436.46046

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N=C2NCC3=CC4=C(C=C3)OCO4)N5CCC(CC5)C(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N=C2NCC3=CC4=C(C=C3)OCO4)N5CCC(CC5)C(=O)O

InChI

InChI=1S/C23H24N4O5/c1-30-16-3-4-18-17(11-16)21(24-12-14-2-5-19-20(10-14)32-13-31-19)26-23(25-18)27-8-6-15(7-9-27)22(28)29/h2-5,10-11,15H,6-9,12-13H2,1H3,(H,28,29)(H,24,25,26)