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

Systemtic Name: dimethyl 5-[5-[(3-morpholin-4-ylpropylamino)methyl]furan-2-yl]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[5-[(3-morpholinopropylamino)methyl]-2-furyl]benzene-1,3-dicarboxylate CAS Name: 5-[5-[[3-(4-morpholinyl)propylamino]methyl]-2-furanyl]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[5-[(3-morpholin-4-ylpropylamino)methyl]furan-2-yl]benzene-1,3-dicarboxylate Traditional Name: 5-[5-[(3-morpholinopropylamino)methyl]-2-furyl]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H28N2O6 MolecularWeight: 416.46752

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C2=CC=C(O2)CNCCCN3CCOCC3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C2=CC=C(O2)CNCCCN3CCOCC3)C(=O)OC

InChI

InChI=1S/C22H28N2O6/c1-27-21(25)17-12-16(13-18(14-17)22(26)28-2)20-5-4-19(30-20)15-23-6-3-7-24-8-10-29-11-9-24/h4-5,12-14,23H,3,6-11,15H2,1-2H3