[4-(5-chloranyl-2-cyano-4-fluoranyl-phenoxy)-4-pyrimidin-2-yl-butyl]carbamic acid

Systemtic Name: [4-(5-chloranyl-2-cyano-4-fluoranyl-phenoxy)-4-pyrimidin-2-yl-butyl]carbamic acid Openeye Name: [4-(5-chloro-2-cyano-4-fluoro-phenoxy)-4-pyrimidin-2-yl-butyl]carbamic acid CAS Name: [4-(5-chloro-2-cyano-4-fluorophenoxy)-4-(2-pyrimidinyl)butyl]carbamic acid IUPAC Name: [4-(5-chloro-2-cyano-4-fluorophenoxy)-4-pyrimidin-2-ylbutyl]carbamic acid Traditional Name: [4-(5-chloro-2-cyano-4-fluoro-phenoxy)-4-(2-pyrimidyl)butyl]carbamic acid Formula: C16H14ClFN4O3 MolecularWeight: 364.758763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)C(CCCNC(=O)O)OC2=CC(=C(C=C2C#N)F)Cl

Isomeric SMILES

C1=CN=C(N=C1)C(CCCNC(=O)O)OC2=CC(=C(C=C2C#N)F)Cl

InChI

InChI=1S/C16H14ClFN4O3/c17-11-8-14(10(9-19)7-12(11)18)25-13(3-1-4-22-16(23)24)15-20-5-2-6-21-15/h2,5-8,13,22H,1,3-4H2,(H,23,24)