[3-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2-chloranyl-6-fluoranyl-benzoate

Systemtic Name: [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2-chloranyl-6-fluoranyl-benzoate Openeye Name: [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2-chloro-6-fluoro-benzoate CAS Name: 2-chloro-6-fluorobenzoic acid [3-[(6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2-chloro-6-fluorobenzoate Traditional Name: 2-chloro-6-fluoro-benzoic acid [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] ester Formula: C23H15ClFN3O2 MolecularWeight: 419.835503

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC=N2)NC3=CC(=CC=C3)OC(=O)C4=C(C=CC=C4Cl)F

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC=N2)NC3=CC(=CC=C3)OC(=O)C4=C(C=CC=C4Cl)F

InChI

InChI=1S/C23H15ClFN3O2/c24-18-10-5-11-19(25)22(18)23(29)30-17-9-4-8-16(12-17)28-21-13-20(26-14-27-21)15-6-2-1-3-7-15/h1-14H,(H,26,27,28)