diethyl 2-(6-azanylhexyl)-2-(phenylcarbonyloxy)propanedioate

Systemtic Name: diethyl 2-(6-azanylhexyl)-2-(phenylcarbonyloxy)propanedioate Openeye Name: diethyl 2-(6-aminohexyl)-2-benzoyloxy-propanedioate CAS Name: 2-(6-aminohexyl)-2-benzoyloxypropanedioic acid diethyl ester IUPAC Name: diethyl 2-(6-aminohexyl)-2-benzoyloxypropanedioate Traditional Name: 2-(6-aminohexyl)-2-benzoyloxy-malonic acid diethyl ester Formula: C20H29NO6 MolecularWeight: 379.44736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCCCN)(C(=O)OCC)OC(=O)C1=CC=CC=C1

Isomeric SMILES

CCOC(=O)C(CCCCCCN)(C(=O)OCC)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C20H29NO6/c1-3-25-18(23)20(19(24)26-4-2,14-10-5-6-11-15-21)27-17(22)16-12-8-7-9-13-16/h7-9,12-13H,3-6,10-11,14-15,21H2,1-2H3