propan-2-yl 4-[6-(4-ethynyl-2-fluoranyl-phenoxy)-5-methyl-pyrimidin-4-yl]oxypiperidine-1-carboxylate

Systemtic Name: propan-2-yl 4-[6-(4-ethynyl-2-fluoranyl-phenoxy)-5-methyl-pyrimidin-4-yl]oxypiperidine-1-carboxylate Openeye Name: isopropyl 4-[6-(4-ethynyl-2-fluoro-phenoxy)-5-methyl-pyrimidin-4-yl]oxypiperidine-1-carboxylate CAS Name: 4-[[6-(4-ethynyl-2-fluorophenoxy)-5-methyl-4-pyrimidinyl]oxy]-1-piperidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[6-(4-ethynyl-2-fluorophenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate Traditional Name: 4-[6-(4-ethynyl-2-fluoro-phenoxy)-5-methyl-pyrimidin-4-yl]oxypiperidine-1-carboxylic acid isopropyl ester Formula: C22H24FN3O4 MolecularWeight: 413.442063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN=C1OC2CCN(CC2)C(=O)OC(C)C)OC3=C(C=C(C=C3)C#C)F

Isomeric SMILES

CC1=C(N=CN=C1OC2CCN(CC2)C(=O)OC(C)C)OC3=C(C=C(C=C3)C#C)F

InChI

InChI=1S/C22H24FN3O4/c1-5-16-6-7-19(18(23)12-16)30-21-15(4)20(24-13-25-21)29-17-8-10-26(11-9-17)22(27)28-14(2)3/h1,6-7,12-14,17H,8-11H2,2-4H3