methyl (3S)-3-[3-fluoranyl-5-(pyridin-3-ylcarbamoylamino)phenoxy]pyrrolidine-1-carboxylate

Systemtic Name: methyl (3S)-3-[3-fluoranyl-5-(pyridin-3-ylcarbamoylamino)phenoxy]pyrrolidine-1-carboxylate Openeye Name: methyl (3S)-3-[3-fluoro-5-(3-pyridylcarbamoylamino)phenoxy]pyrrolidine-1-carboxylate CAS Name: (3S)-3-[3-fluoro-5-[[oxo-(3-pyridinylamino)methyl]amino]phenoxy]-1-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (3S)-3-[3-fluoro-5-(pyridin-3-ylcarbamoylamino)phenoxy]pyrrolidine-1-carboxylate Traditional Name: (3S)-3-[3-fluoro-5-(3-pyridylcarbamoylamino)phenoxy]pyrrolidine-1-carboxylic acid methyl ester Formula: C18H19FN4O4 MolecularWeight: 374.366263

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCC(C1)OC2=CC(=CC(=C2)NC(=O)NC3=CN=CC=C3)F

Isomeric SMILES

COC(=O)N1CC[C@@H](C1)OC2=CC(=CC(=C2)NC(=O)NC3=CN=CC=C3)F

InChI

InChI=1S/C18H19FN4O4/c1-26-18(25)23-6-4-15(11-23)27-16-8-12(19)7-14(9-16)22-17(24)21-13-3-2-5-20-10-13/h2-3,5,7-10,15H,4,6,11H2,1H3,(H2,21,22,24)/t15-/m0/s1