dimethyl 5-[5-[(pyridin-3-ylmethylamino)methyl]furan-2-yl]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[5-[(pyridin-3-ylmethylamino)methyl]furan-2-yl]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[5-[(3-pyridylmethylamino)methyl]-2-furyl]benzene-1,3-dicarboxylate CAS Name: 5-[5-[(3-pyridinylmethylamino)methyl]-2-furanyl]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[5-[(pyridin-3-ylmethylamino)methyl]furan-2-yl]benzene-1,3-dicarboxylate Traditional Name: 5-[5-[(3-pyridylmethylamino)methyl]-2-furyl]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O5/c1-26-20(24)16-8-15(9-17(10-16)21(25)27-2)19-6-5-18(28-19)13-23-12-14-4-3-7-22-11-14/h3-11,23H,12-13H2,1-2H3