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

Systemtic Name: [3-fluoranyl-5-[(6-methylpyridin-3-yl)carbamoylamino]phenyl] (2S)-2-ethylpiperidine-1-carboperoxoate Openeye Name: [3-fluoro-5-[(6-methyl-3-pyridyl)carbamoylamino]phenyl] (2S)-2-ethylpiperidine-1-carboperoxoate CAS Name: (2S)-2-ethyl-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-ethylpiperidine-1-carboperoxoate Traditional Name: (2S)-2-ethylpiperidine-1-carboperoxoic acid [3-fluoro-5-[(6-methyl-3-pyridyl)carbamoylamino]phenyl] ester Formula: C21H25FN4O4 MolecularWeight: 416.446003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25FN4O4/c1-3-18-6-4-5-9-26(18)21(28)30-29-19-11-15(22)10-17(12-19)25-20(27)24-16-8-7-14(2)23-13-16/h7-8,10-13,18H,3-6,9H2,1-2H3,(H2,24,25,27)/t18-/m0/s1