2-[[2-(5-chloranyl-2-fluoranyl-phenyl)pyrimidin-5-yl]amino]-5-cyclopropyl-benzoic acid

Systemtic Name: 2-[[2-(5-chloranyl-2-fluoranyl-phenyl)pyrimidin-5-yl]amino]-5-cyclopropyl-benzoic acid Openeye Name: 2-[[2-(5-chloro-2-fluoro-phenyl)pyrimidin-5-yl]amino]-5-cyclopropyl-benzoic acid CAS Name: 2-[[2-(5-chloro-2-fluorophenyl)-5-pyrimidinyl]amino]-5-cyclopropylbenzoic acid IUPAC Name: 2-[[2-(5-chloro-2-fluorophenyl)pyrimidin-5-yl]amino]-5-cyclopropylbenzoic acid Traditional Name: 2-[[2-(5-chloro-2-fluoro-phenyl)pyrimidin-5-yl]amino]-5-cyclopropyl-benzoic acid Formula: C20H15ClFN3O2 MolecularWeight: 383.803403

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CC(=C(C=C2)NC3=CN=C(N=C3)C4=C(C=CC(=C4)Cl)F)C(=O)O

Isomeric SMILES

C1CC1C2=CC(=C(C=C2)NC3=CN=C(N=C3)C4=C(C=CC(=C4)Cl)F)C(=O)O

InChI

InChI=1S/C20H15ClFN3O2/c21-13-4-5-17(22)15(8-13)19-23-9-14(10-24-19)25-18-6-3-12(11-1-2-11)7-16(18)20(26)27/h3-11,25H,1-2H2,(H,26,27)