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

Systemtic Name: dimethyl 5-[5-[(heptylamino)methyl]furan-2-yl]benzene-1,3-dicarboxylate hydrochloride Openeye Name: dimethyl 5-[5-[(heptylamino)methyl]-2-furyl]benzene-1,3-dicarboxylate hydrochloride CAS Name: 5-[5-[(heptylamino)methyl]-2-furanyl]benzene-1,3-dicarboxylic acid dimethyl ester hydrochloride IUPAC Name: dimethyl 5-[5-[(heptylamino)methyl]furan-2-yl]benzene-1,3-dicarboxylate hydrochloride Traditional Name: 5-[5-[(heptylamino)methyl]-2-furyl]benzene-1,3-dicarboxylic acid dimethyl ester hydrochloride Formula: C22H30ClNO5 MolecularWeight: 423.9303

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNCC1=CC=C(O1)C2=CC(=CC(=C2)C(=O)OC)C(=O)OC.Cl

Isomeric SMILES

CCCCCCCNCC1=CC=C(O1)C2=CC(=CC(=C2)C(=O)OC)C(=O)OC.Cl

InChI

InChI=1S/C22H29NO5.ClH/c1-4-5-6-7-8-11-23-15-19-9-10-20(28-19)16-12-17(21(24)26-2)14-18(13-16)22(25)27-3;/h9-10,12-14,23H,4-8,11,15H2,1-3H3;1H