12-azanyldodecanoic acid; azepan-2-one

Systemtic Name: 12-azanyldodecanoic acid; azepan-2-one Openeye Name: 12-aminododecanoic acid; azepan-2-one CAS Name: 12-aminododecanoic acid; 2-azepanone IUPAC Name: 12-aminododecanoic acid; azepan-2-one Traditional Name: 12-aminolauric acid; azepan-2-one Formula: C18H36N2O3 MolecularWeight: 328.49004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)NCC1.C(CCCCCC(=O)O)CCCCCN

Isomeric SMILES

C1CCC(=O)NCC1.C(CCCCCC(=O)O)CCCCCN

InChI

InChI=1S/C12H25NO2.C6H11NO/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15;8-6-4-2-1-3-5-7-6/h1-11,13H2,(H,14,15);1-5H2,(H,7,8)