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

Systemtic Name: dimethyl 5-[5-[(hexylamino)methyl]furan-2-yl]benzene-1,3-dicarboxylate hydrochloride Openeye Name: dimethyl 5-[5-[(hexylamino)methyl]-2-furyl]benzene-1,3-dicarboxylate hydrochloride CAS Name: 5-[5-[(hexylamino)methyl]-2-furanyl]benzene-1,3-dicarboxylic acid dimethyl ester hydrochloride IUPAC Name: dimethyl 5-[5-[(hexylamino)methyl]furan-2-yl]benzene-1,3-dicarboxylate hydrochloride Traditional Name: 5-[5-[(hexylamino)methyl]-2-furyl]benzene-1,3-dicarboxylic acid dimethyl ester hydrochloride Formula: C21H28ClNO5 MolecularWeight: 409.90372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNCC1=CC=C(O1)C2=CC(=CC(=C2)C(=O)OC)C(=O)OC.Cl

Isomeric SMILES

CCCCCCNCC1=CC=C(O1)C2=CC(=CC(=C2)C(=O)OC)C(=O)OC.Cl

InChI

InChI=1S/C21H27NO5.ClH/c1-4-5-6-7-10-22-14-18-8-9-19(27-18)15-11-16(20(23)25-2)13-17(12-15)21(24)26-3;/h8-9,11-13,22H,4-7,10,14H2,1-3H3;1H