methyl 2-fluoranyl-6-[3-fluoranyl-4-[(2-pyridin-4-ylethylcarbamoylamino)methyl]phenyl]benzoate

Systemtic Name: methyl 2-fluoranyl-6-[3-fluoranyl-4-[(2-pyridin-4-ylethylcarbamoylamino)methyl]phenyl]benzoate Openeye Name: methyl 2-fluoro-6-[3-fluoro-4-[[2-(4-pyridyl)ethylcarbamoylamino]methyl]phenyl]benzoate CAS Name: 2-fluoro-6-[3-fluoro-4-[[[oxo-(2-pyridin-4-ylethylamino)methyl]amino]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-fluoro-6-[3-fluoro-4-[(2-pyridin-4-ylethylcarbamoylamino)methyl]phenyl]benzoate Traditional Name: 2-fluoro-6-[3-fluoro-4-[[2-(4-pyridyl)ethylcarbamoylamino]methyl]phenyl]benzoic acid methyl ester Formula: C23H21F2N3O3 MolecularWeight: 425.427946

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC=C1F)C2=CC(=C(C=C2)CNC(=O)NCCC3=CC=NC=C3)F

Isomeric SMILES

COC(=O)C1=C(C=CC=C1F)C2=CC(=C(C=C2)CNC(=O)NCCC3=CC=NC=C3)F

InChI

InChI=1S/C23H21F2N3O3/c1-31-22(29)21-18(3-2-4-19(21)24)16-5-6-17(20(25)13-16)14-28-23(30)27-12-9-15-7-10-26-11-8-15/h2-8,10-11,13H,9,12,14H2,1H3,(H2,27,28,30)