tert-butyl 4-[[4-[(2-bromanyl-5-methoxy-phenyl)amino]quinazolin-5-yl]oxymethyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-[(2-bromanyl-5-methoxy-phenyl)amino]quinazolin-5-yl]oxymethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[4-(2-bromo-5-methoxy-anilino)quinazolin-5-yl]oxymethyl]piperidine-1-carboxylate CAS Name: 4-[[4-(2-bromo-5-methoxyanilino)-5-quinazolinyl]oxymethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-(2-bromo-5-methoxyanilino)quinazolin-5-yl]oxymethyl]piperidine-1-carboxylate Traditional Name: 4-[[4-(2-bromo-5-methoxy-anilino)quinazolin-5-yl]oxymethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C26H31BrN4O4 MolecularWeight: 543.45274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)COC2=CC=CC3=C2C(=NC=N3)NC4=C(C=CC(=C4)OC)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)COC2=CC=CC3=C2C(=NC=N3)NC4=C(C=CC(=C4)OC)Br

InChI

InChI=1S/C26H31BrN4O4/c1-26(2,3)35-25(32)31-12-10-17(11-13-31)15-34-22-7-5-6-20-23(22)24(29-16-28-20)30-21-14-18(33-4)8-9-19(21)27/h5-9,14,16-17H,10-13,15H2,1-4H3,(H,28,29,30)