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

Systemtic Name: dimethyl 5-[5-[(phenethylamino)methyl]furan-2-yl]benzene-1,3-dicarboxylate hydrochloride Openeye Name: dimethyl 5-[5-[(phenethylamino)methyl]-2-furyl]benzene-1,3-dicarboxylate hydrochloride CAS Name: 5-[5-[(phenethylamino)methyl]-2-furanyl]benzene-1,3-dicarboxylic acid dimethyl ester hydrochloride IUPAC Name: dimethyl 5-[5-[(phenethylamino)methyl]furan-2-yl]benzene-1,3-dicarboxylate hydrochloride Traditional Name: 5-[5-[(phenethylamino)methyl]-2-furyl]benzene-1,3-dicarboxylic acid dimethyl ester hydrochloride Formula: C23H24ClNO5 MolecularWeight: 429.89336

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C2=CC=C(O2)CNCCC3=CC=CC=C3)C(=O)OC.Cl

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C2=CC=C(O2)CNCCC3=CC=CC=C3)C(=O)OC.Cl

InChI

InChI=1S/C23H23NO5.ClH/c1-27-22(25)18-12-17(13-19(14-18)23(26)28-2)21-9-8-20(29-21)15-24-11-10-16-6-4-3-5-7-16;/h3-9,12-14,24H,10-11,15H2,1-2H3;1H