tert-butyl 4-[[4-[(2-fluoranyl-4-methyl-phenyl)amino]-6-methoxy-quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-[(2-fluoranyl-4-methyl-phenyl)amino]-6-methoxy-quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[4-(2-fluoro-4-methyl-anilino)-6-methoxy-quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate CAS Name: 4-[[4-(2-fluoro-4-methylanilino)-6-methoxy-7-quinazolinyl]oxymethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-(2-fluoro-4-methylanilino)-6-methoxyquinazolin-7-yl]oxymethyl]piperidine-1-carboxylate Traditional Name: 4-[[4-(2-fluoro-4-methyl-anilino)-6-methoxy-quinazolin-7-yl]oxymethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C27H33FN4O4 MolecularWeight: 496.573723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=NC=NC3=CC(=C(C=C32)OC)OCC4CCN(CC4)C(=O)OC(C)(C)C)F

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=NC=NC3=CC(=C(C=C32)OC)OCC4CCN(CC4)C(=O)OC(C)(C)C)F

InChI

InChI=1S/C27H33FN4O4/c1-17-6-7-21(20(28)12-17)31-25-19-13-23(34-5)24(14-22(19)29-16-30-25)35-15-18-8-10-32(11-9-18)26(33)36-27(2,3)4/h6-7,12-14,16,18H,8-11,15H2,1-5H3,(H,29,30,31)