tert-butyl 4-[[4-[(5-chloranyl-1,3-benzodioxol-4-yl)amino]-6-methoxy-quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-[(5-chloranyl-1,3-benzodioxol-4-yl)amino]-6-methoxy-quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[4-[(5-chloro-1,3-benzodioxol-4-yl)amino]-6-methoxy-quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate CAS Name: 4-[[4-[(5-chloro-1,3-benzodioxol-4-yl)amino]-6-methoxy-7-quinazolinyl]oxymethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-[(5-chloro-1,3-benzodioxol-4-yl)amino]-6-methoxyquinazolin-7-yl]oxymethyl]piperidine-1-carboxylate Traditional Name: 4-[[4-[(5-chloro-1,3-benzodioxol-4-yl)amino]-6-methoxy-quinazolin-7-yl]oxymethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C27H31ClN4O6 MolecularWeight: 543.01124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=CC5=C4OCO5)Cl)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=CC5=C4OCO5)Cl)OC

InChI

InChI=1S/C27H31ClN4O6/c1-27(2,3)38-26(33)32-9-7-16(8-10-32)13-35-22-12-19-17(11-21(22)34-4)25(30-14-29-19)31-23-18(28)5-6-20-24(23)37-15-36-20/h5-6,11-12,14,16H,7-10,13,15H2,1-4H3,(H,29,30,31)