tert-butyl 4-[[4-(4-azanyl-3-fluoranyl-phenoxy)-6-cyano-quinolin-7-yl]oxymethyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-(4-azanyl-3-fluoranyl-phenoxy)-6-cyano-quinolin-7-yl]oxymethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[4-(4-amino-3-fluoro-phenoxy)-6-cyano-7-quinolyl]oxymethyl]piperidine-1-carboxylate CAS Name: 4-[[4-(4-amino-3-fluorophenoxy)-6-cyano-7-quinolinyl]oxymethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-(4-amino-3-fluorophenoxy)-6-cyanoquinolin-7-yl]oxymethyl]piperidine-1-carboxylate Traditional Name: 4-[[4-(4-amino-3-fluoro-phenoxy)-6-cyano-7-quinolyl]oxymethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C27H29FN4O4 MolecularWeight: 492.541963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)COC2=CC3=NC=CC(=C3C=C2C#N)OC4=CC(=C(C=C4)N)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)COC2=CC3=NC=CC(=C3C=C2C#N)OC4=CC(=C(C=C4)N)F

InChI

InChI=1S/C27H29FN4O4/c1-27(2,3)36-26(33)32-10-7-17(8-11-32)16-34-25-14-23-20(12-18(25)15-29)24(6-9-31-23)35-19-4-5-22(30)21(28)13-19/h4-6,9,12-14,17H,7-8,10-11,16,30H2,1-3H3