bis(pyridin-3-ylmethyl) 4-ethoxybenzene-1,3-dicarboxylate hydrochloride

Systemtic Name: bis(pyridin-3-ylmethyl) 4-ethoxybenzene-1,3-dicarboxylate hydrochloride Openeye Name: bis(3-pyridylmethyl) 4-ethoxybenzene-1,3-dicarboxylate hydrochloride CAS Name: 4-ethoxybenzene-1,3-dicarboxylic acid bis(3-pyridinylmethyl) ester hydrochloride IUPAC Name: bis(pyridin-3-ylmethyl) 4-ethoxybenzene-1,3-dicarboxylate hydrochloride Traditional Name: 4-ethoxybenzene-1,3-dicarboxylic acid bis(3-pyridylmethyl) ester hydrochloride Formula: C22H21ClN2O5 MolecularWeight: 428.86554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC2=CN=CC=C2)C(=O)OCC3=CN=CC=C3.Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC2=CN=CC=C2)C(=O)OCC3=CN=CC=C3.Cl

InChI

InChI=1S/C22H20N2O5.ClH/c1-2-27-20-8-7-18(21(25)28-14-16-5-3-9-23-12-16)11-19(20)22(26)29-15-17-6-4-10-24-13-17;/h3-13H,2,14-15H2,1H3;1H