1-[4-(diethylamino)-6,7,8-trimethoxy-quinazolin-2-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[4-(diethylamino)-6,7,8-trimethoxy-quinazolin-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[4-(diethylamino)-6,7,8-trimethoxy-quinazolin-2-yl]piperidine-4-carboxylic acid CAS Name: 1-[4-(diethylamino)-6,7,8-trimethoxy-2-quinazolinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-(diethylamino)-6,7,8-trimethoxyquinazolin-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[4-(diethylamino)-6,7,8-trimethoxy-quinazolin-2-yl]isonipecotic acid Formula: C21H30N4O5 MolecularWeight: 418.4867

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC(=NC2=C(C(=C(C=C21)OC)OC)OC)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCN(CC)C1=NC(=NC2=C(C(=C(C=C21)OC)OC)OC)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C21H30N4O5/c1-6-24(7-2)19-14-12-15(28-3)17(29-4)18(30-5)16(14)22-21(23-19)25-10-8-13(9-11-25)20(26)27/h12-13H,6-11H2,1-5H3,(H,26,27)