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

Systemtic Name: ethyl 1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6,7,8-trimethoxy-quinazolin-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-[(3-chloro-4-methoxy-phenyl)methylamino]-6,7,8-trimethoxy-quinazolin-2-yl]piperidine-4-carboxylate CAS Name: 1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6,7,8-trimethoxy-2-quinazolinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6,7,8-trimethoxyquinazolin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[4-[(3-chloro-4-methoxy-benzyl)amino]-6,7,8-trimethoxy-quinazolin-2-yl]isonipecotic acid ethyl ester Formula: C27H33ClN4O6 MolecularWeight: 545.02712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NC3=C(C(=C(C=C3C(=N2)NCC4=CC(=C(C=C4)OC)Cl)OC)OC)OC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NC3=C(C(=C(C=C3C(=N2)NCC4=CC(=C(C=C4)OC)Cl)OC)OC)OC

InChI

InChI=1S/C27H33ClN4O6/c1-6-38-26(33)17-9-11-32(12-10-17)27-30-22-18(14-21(35-3)23(36-4)24(22)37-5)25(31-27)29-15-16-7-8-20(34-2)19(28)13-16/h7-8,13-14,17H,6,9-12,15H2,1-5H3,(H,29,30,31)