tert-butyl (3R)-3-[3-fluoranyl-5-[2-(pyridin-3-ylcarbamoylamino)ethyl]phenoxy]piperidine-1-carboxylate

Systemtic Name: tert-butyl (3R)-3-[3-fluoranyl-5-[2-(pyridin-3-ylcarbamoylamino)ethyl]phenoxy]piperidine-1-carboxylate Openeye Name: tert-butyl (3R)-3-[3-fluoro-5-[2-(3-pyridylcarbamoylamino)ethyl]phenoxy]piperidine-1-carboxylate CAS Name: (3R)-3-[3-fluoro-5-[2-[[oxo-(3-pyridinylamino)methyl]amino]ethyl]phenoxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3R)-3-[3-fluoro-5-[2-(pyridin-3-ylcarbamoylamino)ethyl]phenoxy]piperidine-1-carboxylate Traditional Name: (3R)-3-[3-fluoro-5-[2-(3-pyridylcarbamoylamino)ethyl]phenoxy]piperidine-1-carboxylic acid tert-butyl ester Formula: C24H31FN4O4 MolecularWeight: 458.525743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)OC2=CC(=CC(=C2)CCNC(=O)NC3=CN=CC=C3)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H](C1)OC2=CC(=CC(=C2)CCNC(=O)NC3=CN=CC=C3)F

InChI

InChI=1S/C24H31FN4O4/c1-24(2,3)33-23(31)29-11-5-7-20(16-29)32-21-13-17(12-18(25)14-21)8-10-27-22(30)28-19-6-4-9-26-15-19/h4,6,9,12-15,20H,5,7-8,10-11,16H2,1-3H3,(H2,27,28,30)/t20-/m1/s1