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

Systemtic Name: dimethyl 5-[5-[(octylamino)methyl]furan-2-yl]benzene-1,3-dicarboxylate hydrochloride Openeye Name: dimethyl 5-[5-[(octylamino)methyl]-2-furyl]benzene-1,3-dicarboxylate hydrochloride CAS Name: 5-[5-[(octylamino)methyl]-2-furanyl]benzene-1,3-dicarboxylic acid dimethyl ester hydrochloride IUPAC Name: dimethyl 5-[5-[(octylamino)methyl]furan-2-yl]benzene-1,3-dicarboxylate hydrochloride Traditional Name: 5-[5-[(octylamino)methyl]-2-furyl]benzene-1,3-dicarboxylic acid dimethyl ester hydrochloride Formula: C23H32ClNO5 MolecularWeight: 437.95688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNCC1=CC=C(O1)C2=CC(=CC(=C2)C(=O)OC)C(=O)OC.Cl

Isomeric SMILES

CCCCCCCCNCC1=CC=C(O1)C2=CC(=CC(=C2)C(=O)OC)C(=O)OC.Cl

InChI

InChI=1S/C23H31NO5.ClH/c1-4-5-6-7-8-9-12-24-16-20-10-11-21(29-20)17-13-18(22(25)27-2)15-19(14-17)23(26)28-3;/h10-11,13-15,24H,4-9,12,16H2,1-3H3;1H