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

Systemtic Name: tert-butyl 4-[[4-[(2-chloranyl-5-methoxy-phenyl)amino]quinazolin-2-yl]oxymethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[4-(2-chloro-5-methoxy-anilino)quinazolin-2-yl]oxymethyl]piperidine-1-carboxylate CAS Name: 4-[[4-(2-chloro-5-methoxyanilino)-2-quinazolinyl]oxymethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-(2-chloro-5-methoxyanilino)quinazolin-2-yl]oxymethyl]piperidine-1-carboxylate Traditional Name: 4-[[4-(2-chloro-5-methoxy-anilino)quinazolin-2-yl]oxymethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C26H31ClN4O4 MolecularWeight: 499.00174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)COC2=NC3=CC=CC=C3C(=N2)NC4=C(C=CC(=C4)OC)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)COC2=NC3=CC=CC=C3C(=N2)NC4=C(C=CC(=C4)OC)Cl

InChI

InChI=1S/C26H31ClN4O4/c1-26(2,3)35-25(32)31-13-11-17(12-14-31)16-34-24-29-21-8-6-5-7-19(21)23(30-24)28-22-15-18(33-4)9-10-20(22)27/h5-10,15,17H,11-14,16H2,1-4H3,(H,28,29,30)