methyl 1-[3-fluoranyl-5-(pyridin-3-ylcarbamoylamino)phenoxy]piperidine-4-carboxylate

Systemtic Name: methyl 1-[3-fluoranyl-5-(pyridin-3-ylcarbamoylamino)phenoxy]piperidine-4-carboxylate Openeye Name: methyl 1-[3-fluoro-5-(3-pyridylcarbamoylamino)phenoxy]piperidine-4-carboxylate CAS Name: 1-[3-fluoro-5-[[oxo-(3-pyridinylamino)methyl]amino]phenoxy]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-fluoro-5-(pyridin-3-ylcarbamoylamino)phenoxy]piperidine-4-carboxylate Traditional Name: 1-[3-fluoro-5-(3-pyridylcarbamoylamino)phenoxy]isonipecotic acid methyl ester Formula: C19H21FN4O4 MolecularWeight: 388.392843

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)OC2=CC(=CC(=C2)NC(=O)NC3=CN=CC=C3)F

Isomeric SMILES

COC(=O)C1CCN(CC1)OC2=CC(=CC(=C2)NC(=O)NC3=CN=CC=C3)F

InChI

InChI=1S/C19H21FN4O4/c1-27-18(25)13-4-7-24(8-5-13)28-17-10-14(20)9-16(11-17)23-19(26)22-15-3-2-6-21-12-15/h2-3,6,9-13H,4-5,7-8H2,1H3,(H2,22,23,26)