tert-butyl 3-[2-[3-(3-fluoranyl-6-methoxy-quinolin-4-yl)-3-oxidanyl-propoxy]-2-oxidanylidene-ethyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[2-[3-(3-fluoranyl-6-methoxy-quinolin-4-yl)-3-oxidanyl-propoxy]-2-oxidanylidene-ethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[2-[3-(3-fluoro-6-methoxy-4-quinolyl)-3-hydroxy-propoxy]-2-oxo-ethyl]piperidine-1-carboxylate CAS Name: 3-[2-[3-(3-fluoro-6-methoxy-4-quinolinyl)-3-hydroxypropoxy]-2-oxoethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-[3-(3-fluoro-6-methoxyquinolin-4-yl)-3-hydroxypropoxy]-2-oxoethyl]piperidine-1-carboxylate Traditional Name: 3-[2-[3-(3-fluoro-6-methoxy-4-quinolyl)-3-hydroxy-propoxy]-2-keto-ethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H33FN2O6 MolecularWeight: 476.537723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)CC(=O)OCCC(C2=C3C=C(C=CC3=NC=C2F)OC)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)CC(=O)OCCC(C2=C3C=C(C=CC3=NC=C2F)OC)O

InChI

InChI=1S/C25H33FN2O6/c1-25(2,3)34-24(31)28-10-5-6-16(15-28)12-22(30)33-11-9-21(29)23-18-13-17(32-4)7-8-20(18)27-14-19(23)26/h7-8,13-14,16,21,29H,5-6,9-12,15H2,1-4H3