[3-fluoranyl-5-[(6-methylpyridin-3-yl)carbamoylamino]phenyl] (2S)-2-methylpiperidine-1-carboperoxoate

Systemtic Name: [3-fluoranyl-5-[(6-methylpyridin-3-yl)carbamoylamino]phenyl] (2S)-2-methylpiperidine-1-carboperoxoate Openeye Name: [3-fluoro-5-[(6-methyl-3-pyridyl)carbamoylamino]phenyl] (2S)-2-methylpiperidine-1-carboperoxoate CAS Name: (2S)-2-methyl-1-piperidinecarboperoxoic acid [3-fluoro-5-[[[(6-methyl-3-pyridinyl)amino]-oxomethyl]amino]phenyl] ester IUPAC Name: [3-fluoro-5-[(6-methylpyridin-3-yl)carbamoylamino]phenyl] (2S)-2-methylpiperidine-1-carboperoxoate Traditional Name: (2S)-2-methylpiperidine-1-carboperoxoic acid [3-fluoro-5-[(6-methyl-3-pyridyl)carbamoylamino]phenyl] ester Formula: C20H23FN4O4 MolecularWeight: 402.419423

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)OOC2=CC(=CC(=C2)NC(=O)NC3=CN=C(C=C3)C)F

Isomeric SMILES

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

InChI

InChI=1S/C20H23FN4O4/c1-13-6-7-16(12-22-13)23-19(26)24-17-9-15(21)10-18(11-17)28-29-20(27)25-8-4-3-5-14(25)2/h6-7,9-12,14H,3-5,8H2,1-2H3,(H2,23,24,26)/t14-/m0/s1