O2-(azepan-1-yl) O1-[2-(2-methylphenyl)ethyl] ethanedioate

Systemtic Name: O2-(azepan-1-yl) O1-[2-(2-methylphenyl)ethyl] ethanedioate Openeye Name: O2-(azepan-1-yl) O1-[2-(o-tolyl)ethyl] oxalate CAS Name: oxalic acid O2-(1-azepanyl) ester O1-[2-(2-methylphenyl)ethyl] ester IUPAC Name: 2-O-(azepan-1-yl) 1-O-[2-(2-methylphenyl)ethyl] oxalate Traditional Name: oxalic acid O2-(azepan-1-yl) ester O1-[2-(o-tolyl)ethyl] ester Formula: C17H23NO4 MolecularWeight: 305.36882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCOC(=O)C(=O)ON2CCCCCC2

Isomeric SMILES

CC1=CC=CC=C1CCOC(=O)C(=O)ON2CCCCCC2

InChI

InChI=1S/C17H23NO4/c1-14-8-4-5-9-15(14)10-13-21-16(19)17(20)22-18-11-6-2-3-7-12-18/h4-5,8-9H,2-3,6-7,10-13H2,1H3