tert-butyl 3-ethenyl-4-[3-(3-fluoranyl-6-methoxy-quinolin-4-yl)-3-oxidanylidene-propyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-ethenyl-4-[3-(3-fluoranyl-6-methoxy-quinolin-4-yl)-3-oxidanylidene-propyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[3-(3-fluoro-6-methoxy-4-quinolyl)-3-oxo-propyl]-3-vinyl-piperidine-1-carboxylate CAS Name: 3-ethenyl-4-[3-(3-fluoro-6-methoxy-4-quinolinyl)-3-oxopropyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-ethenyl-4-[3-(3-fluoro-6-methoxyquinolin-4-yl)-3-oxopropyl]piperidine-1-carboxylate Traditional Name: 4-[3-(3-fluoro-6-methoxy-4-quinolyl)-3-keto-propyl]-3-vinyl-piperidine-1-carboxylic acid tert-butyl ester Formula: C25H31FN2O4 MolecularWeight: 442.523043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C(C1)C=C)CCC(=O)C2=C3C=C(C=CC3=NC=C2F)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(C(C1)C=C)CCC(=O)C2=C3C=C(C=CC3=NC=C2F)OC

InChI

InChI=1S/C25H31FN2O4/c1-6-16-15-28(24(30)32-25(2,3)4)12-11-17(16)7-10-22(29)23-19-13-18(31-5)8-9-21(19)27-14-20(23)26/h6,8-9,13-14,16-17H,1,7,10-12,15H2,2-5H3