dimethyl 5-[5-[[(4-fluorophenyl)methylamino]methyl]furan-2-yl]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[5-[[(4-fluorophenyl)methylamino]methyl]furan-2-yl]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[5-[[(4-fluorophenyl)methylamino]methyl]-2-furyl]benzene-1,3-dicarboxylate CAS Name: 5-[5-[[(4-fluorophenyl)methylamino]methyl]-2-furanyl]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[5-[[(4-fluorophenyl)methylamino]methyl]furan-2-yl]benzene-1,3-dicarboxylate Traditional Name: 5-[5-[[(4-fluorobenzyl)amino]methyl]-2-furyl]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H20FNO5 MolecularWeight: 397.396303

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C2=CC=C(O2)CNCC3=CC=C(C=C3)F)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C2=CC=C(O2)CNCC3=CC=C(C=C3)F)C(=O)OC

InChI

InChI=1S/C22H20FNO5/c1-27-21(25)16-9-15(10-17(11-16)22(26)28-2)20-8-7-19(29-20)13-24-12-14-3-5-18(23)6-4-14/h3-11,24H,12-13H2,1-2H3