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

Systemtic Name: dimethyl 5-[5-[(pentylamino)methyl]furan-2-yl]benzene-1,3-dicarboxylate hydrochloride Openeye Name: dimethyl 5-[5-[(pentylamino)methyl]-2-furyl]benzene-1,3-dicarboxylate hydrochloride CAS Name: 5-[5-[(pentylamino)methyl]-2-furanyl]benzene-1,3-dicarboxylic acid dimethyl ester hydrochloride IUPAC Name: dimethyl 5-[5-[(pentylamino)methyl]furan-2-yl]benzene-1,3-dicarboxylate hydrochloride Traditional Name: 5-[5-[(amylamino)methyl]-2-furyl]benzene-1,3-dicarboxylic acid dimethyl ester hydrochloride Formula: C20H26ClNO5 MolecularWeight: 395.87714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNCC1=CC=C(O1)C2=CC(=CC(=C2)C(=O)OC)C(=O)OC.Cl

Isomeric SMILES

CCCCCNCC1=CC=C(O1)C2=CC(=CC(=C2)C(=O)OC)C(=O)OC.Cl

InChI

InChI=1S/C20H25NO5.ClH/c1-4-5-6-9-21-13-17-7-8-18(26-17)14-10-15(19(22)24-2)12-16(11-14)20(23)25-3;/h7-8,10-12,21H,4-6,9,13H2,1-3H3;1H