1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-methoxy-quinazolin-2-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-methoxy-quinazolin-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-methoxy-quinazolin-2-yl]piperidine-4-carboxylic acid CAS Name: 1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-methoxy-2-quinazolinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-methoxyquinazolin-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[4-[(3-chloro-4-methoxy-benzyl)amino]-6-methoxy-quinazolin-2-yl]isonipecotic acid Formula: C23H25ClN4O4 MolecularWeight: 456.922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N=C2NCC3=CC(=C(C=C3)OC)Cl)N4CCC(CC4)C(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N=C2NCC3=CC(=C(C=C3)OC)Cl)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C23H25ClN4O4/c1-31-16-4-5-19-17(12-16)21(25-13-14-3-6-20(32-2)18(24)11-14)27-23(26-19)28-9-7-15(8-10-28)22(29)30/h3-6,11-12,15H,7-10,13H2,1-2H3,(H,29,30)(H,25,26,27)