6-methylundecan-6-yl azepane-1-carboxylate

Systemtic Name: 6-methylundecan-6-yl azepane-1-carboxylate Openeye Name: (1-methyl-1-pentyl-hexyl) azepane-1-carboxylate CAS Name: 1-azepanecarboxylic acid 6-methylundecan-6-yl ester IUPAC Name: 6-methylundecan-6-yl azepane-1-carboxylate Traditional Name: azepane-1-carboxylic acid (1-amyl-1-methyl-hexyl) ester Formula: C19H37NO2 MolecularWeight: 311.50258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(CCCCC)OC(=O)N1CCCCCC1

Isomeric SMILES

CCCCCC(C)(CCCCC)OC(=O)N1CCCCCC1

InChI

InChI=1S/C19H37NO2/c1-4-6-10-14-19(3,15-11-7-5-2)22-18(21)20-16-12-8-9-13-17-20/h4-17H2,1-3H3