O3-methyl O1-phenyl 4-[(5-chloranyl-2-fluoranyl-phenyl)methyl]-4H-pyridine-1,3-dicarboxylate

Systemtic Name: O3-methyl O1-phenyl 4-[(5-chloranyl-2-fluoranyl-phenyl)methyl]-4H-pyridine-1,3-dicarboxylate Openeye Name: O3-methyl O1-phenyl 4-[(5-chloro-2-fluoro-phenyl)methyl]-4H-pyridine-1,3-dicarboxylate CAS Name: 4-[(5-chloro-2-fluorophenyl)methyl]-4H-pyridine-1,3-dicarboxylic acid O3-methyl ester O1-phenyl ester IUPAC Name: 3-O-methyl 1-O-phenyl 4-[(5-chloro-2-fluorophenyl)methyl]-4H-pyridine-1,3-dicarboxylate Traditional Name: 4-(5-chloro-2-fluoro-benzyl)-4H-pyridine-1,3-dicarboxylic acid O3-methyl ester O1-phenyl ester Formula: C21H17ClFNO4 MolecularWeight: 401.815383

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C=CC1CC2=C(C=CC(=C2)Cl)F)C(=O)OC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CN(C=CC1CC2=C(C=CC(=C2)Cl)F)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C21H17ClFNO4/c1-27-20(25)18-13-24(21(26)28-17-5-3-2-4-6-17)10-9-14(18)11-15-12-16(22)7-8-19(15)23/h2-10,12-14H,11H2,1H3