methyl 2-[4-[[(5-benzamidopyridin-2-yl)amino]methyl]-3-fluoranyl-phenyl]-6-fluoranyl-benzoate

Systemtic Name: methyl 2-[4-[[(5-benzamidopyridin-2-yl)amino]methyl]-3-fluoranyl-phenyl]-6-fluoranyl-benzoate Openeye Name: methyl 2-[4-[[(5-benzamido-2-pyridyl)amino]methyl]-3-fluoro-phenyl]-6-fluoro-benzoate CAS Name: 2-[4-[[(5-benzamido-2-pyridinyl)amino]methyl]-3-fluorophenyl]-6-fluorobenzoic acid methyl ester IUPAC Name: methyl 2-[4-[[(5-benzamidopyridin-2-yl)amino]methyl]-3-fluorophenyl]-6-fluorobenzoate Traditional Name: 2-[4-[[(5-benzamido-2-pyridyl)amino]methyl]-3-fluoro-phenyl]-6-fluoro-benzoic acid methyl ester Formula: C27H21F2N3O3 MolecularWeight: 473.470746

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC=C1F)C2=CC(=C(C=C2)CNC3=NC=C(C=C3)NC(=O)C4=CC=CC=C4)F

Isomeric SMILES

COC(=O)C1=C(C=CC=C1F)C2=CC(=C(C=C2)CNC3=NC=C(C=C3)NC(=O)C4=CC=CC=C4)F

InChI

InChI=1S/C27H21F2N3O3/c1-35-27(34)25-21(8-5-9-22(25)28)18-10-11-19(23(29)14-18)15-30-24-13-12-20(16-31-24)32-26(33)17-6-3-2-4-7-17/h2-14,16H,15H2,1H3,(H,30,31)(H,32,33)