1-[4-(1,3-benzodioxol-5-ylmethylamino)-6,7,8-trimethoxy-quinazolin-2-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6,7,8-trimethoxy-quinazolin-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6,7,8-trimethoxy-quinazolin-2-yl]piperidine-4-carboxylic acid CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6,7,8-trimethoxy-2-quinazolinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6,7,8-trimethoxyquinazolin-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6,7,8-trimethoxy-4-(piperonylamino)quinazolin-2-yl]isonipecotic acid Formula: C25H28N4O7 MolecularWeight: 496.51242

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)C(=NC(=N2)N3CCC(CC3)C(=O)O)NCC4=CC5=C(C=C4)OCO5)OC)OC

Isomeric SMILES

COC1=C(C(=C2C(=C1)C(=NC(=N2)N3CCC(CC3)C(=O)O)NCC4=CC5=C(C=C4)OCO5)OC)OC

InChI

InChI=1S/C25H28N4O7/c1-32-19-11-16-20(22(34-3)21(19)33-2)27-25(29-8-6-15(7-9-29)24(30)31)28-23(16)26-12-14-4-5-17-18(10-14)36-13-35-17/h4-5,10-11,15H,6-9,12-13H2,1-3H3,(H,30,31)(H,26,27,28)