1-[5-(butylamino)-3-cyano-4-fluoranyl-pyridin-2-yl]oxypropan-2-yl 3-chloranylbenzoate

Systemtic Name: 1-[5-(butylamino)-3-cyano-4-fluoranyl-pyridin-2-yl]oxypropan-2-yl 3-chloranylbenzoate Openeye Name: [2-[[5-(butylamino)-3-cyano-4-fluoro-2-pyridyl]oxy]-1-methyl-ethyl] 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid 1-[[5-(butylamino)-3-cyano-4-fluoro-2-pyridinyl]oxy]propan-2-yl ester IUPAC Name: 1-[5-(butylamino)-3-cyano-4-fluoropyridin-2-yl]oxypropan-2-yl 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid [2-[[5-(butylamino)-3-cyano-4-fluoro-2-pyridyl]oxy]-1-methyl-ethyl] ester Formula: C20H21ClFN3O3 MolecularWeight: 405.850443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CN=C(C(=C1F)C#N)OCC(C)OC(=O)C2=CC(=CC=C2)Cl

Isomeric SMILES

CCCCNC1=CN=C(C(=C1F)C#N)OCC(C)OC(=O)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C20H21ClFN3O3/c1-3-4-8-24-17-11-25-19(16(10-23)18(17)22)27-12-13(2)28-20(26)14-6-5-7-15(21)9-14/h5-7,9,11,13,24H,3-4,8,12H2,1-2H3