[3-fluoranyl-5-(pyridin-3-ylcarbamoylamino)phenyl] (2R)-2-ethylpiperidine-1-carboperoxoate

Systemtic Name: [3-fluoranyl-5-(pyridin-3-ylcarbamoylamino)phenyl] (2R)-2-ethylpiperidine-1-carboperoxoate Openeye Name: [3-fluoro-5-(3-pyridylcarbamoylamino)phenyl] (2R)-2-ethylpiperidine-1-carboperoxoate CAS Name: (2R)-2-ethyl-1-piperidinecarboperoxoic acid [3-fluoro-5-[[oxo-(3-pyridinylamino)methyl]amino]phenyl] ester IUPAC Name: [3-fluoro-5-(pyridin-3-ylcarbamoylamino)phenyl] (2R)-2-ethylpiperidine-1-carboperoxoate Traditional Name: (2R)-2-ethylpiperidine-1-carboperoxoic acid [3-fluoro-5-(3-pyridylcarbamoylamino)phenyl] ester Formula: C20H23FN4O4 MolecularWeight: 402.419423

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)OOC2=CC(=CC(=C2)NC(=O)NC3=CN=CC=C3)F

Isomeric SMILES

CC[C@@H]1CCCCN1C(=O)OOC2=CC(=CC(=C2)NC(=O)NC3=CN=CC=C3)F

InChI

InChI=1S/C20H23FN4O4/c1-2-17-7-3-4-9-25(17)20(27)29-28-18-11-14(21)10-16(12-18)24-19(26)23-15-6-5-8-22-13-15/h5-6,8,10-13,17H,2-4,7,9H2,1H3,(H2,23,24,26)/t17-/m1/s1