1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6,7,8-trimethoxy-quinazolin-2-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6,7,8-trimethoxy-quinazolin-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[4-[(3-chloro-4-methoxy-phenyl)methylamino]-6,7,8-trimethoxy-quinazolin-2-yl]piperidine-4-carboxylic acid CAS Name: 1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6,7,8-trimethoxy-2-quinazolinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6,7,8-trimethoxyquinazolin-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[4-[(3-chloro-4-methoxy-benzyl)amino]-6,7,8-trimethoxy-quinazolin-2-yl]isonipecotic acid Formula: C25H29ClN4O6 MolecularWeight: 516.97396

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NC(=NC3=C(C(=C(C=C32)OC)OC)OC)N4CCC(CC4)C(=O)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NC(=NC3=C(C(=C(C=C32)OC)OC)OC)N4CCC(CC4)C(=O)O)Cl

InChI

InChI=1S/C25H29ClN4O6/c1-33-18-6-5-14(11-17(18)26)13-27-23-16-12-19(34-2)21(35-3)22(36-4)20(16)28-25(29-23)30-9-7-15(8-10-30)24(31)32/h5-6,11-12,15H,7-10,13H2,1-4H3,(H,31,32)(H,27,28,29)