azane; 2,6-bis(azanyl)hexanoic acid; N-(4-methanoylphenyl)ethanamide

Systemtic Name: azane; 2,6-bis(azanyl)hexanoic acid; N-(4-methanoylphenyl)ethanamide Openeye Name: ammonia; 2,6-diaminohexanoic acid; N-(4-formylphenyl)acetamide CAS Name: ammonia; 2,6-diaminohexanoic acid; N-(4-formylphenyl)acetamide IUPAC Name: azane; 2,6-diaminohexanoic acid; N-(4-formylphenyl)acetamide Traditional Name: ammonia; 2,6-diaminohexanoic acid; N-(4-formylphenyl)acetamide Formula: C15H26N4O4 MolecularWeight: 326.39134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C=O.C(CCN)CC(C(=O)O)N.N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C=O.C(CCN)CC(C(=O)O)N.N

InChI

InChI=1S/C9H9NO2.C6H14N2O2.H3N/c1-7(12)10-9-4-2-8(6-11)3-5-9;7-4-2-1-3-5(8)6(9)10;/h2-6H,1H3,(H,10,12);5H,1-4,7-8H2,(H,9,10);1H3