dimethyl 5-[5-[(pyridin-4-ylmethylamino)methyl]furan-2-yl]benzene-1,3-dicarboxylate hydrochloride

Systemtic Name: dimethyl 5-[5-[(pyridin-4-ylmethylamino)methyl]furan-2-yl]benzene-1,3-dicarboxylate hydrochloride Openeye Name: dimethyl 5-[5-[(4-pyridylmethylamino)methyl]-2-furyl]benzene-1,3-dicarboxylate hydrochloride CAS Name: 5-[5-[(pyridin-4-ylmethylamino)methyl]-2-furanyl]benzene-1,3-dicarboxylic acid dimethyl ester hydrochloride IUPAC Name: dimethyl 5-[5-[(pyridin-4-ylmethylamino)methyl]furan-2-yl]benzene-1,3-dicarboxylate hydrochloride Traditional Name: 5-[5-[(4-pyridylmethylamino)methyl]-2-furyl]benzene-1,3-dicarboxylic acid dimethyl ester hydrochloride Formula: C21H21ClN2O5 MolecularWeight: 416.85484

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C2=CC=C(O2)CNCC3=CC=NC=C3)C(=O)OC.Cl

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C2=CC=C(O2)CNCC3=CC=NC=C3)C(=O)OC.Cl

InChI

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