2,6-bis(azanyl)hexanoic acid; N-(4-methanoylphenyl)ethanamide; prop-2-en-1-amine

Systemtic Name: 2,6-bis(azanyl)hexanoic acid; N-(4-methanoylphenyl)ethanamide; prop-2-en-1-amine Openeye Name: 2,6-diaminohexanoic acid; N-(4-formylphenyl)acetamide; prop-2-en-1-amine CAS Name: 2,6-diaminohexanoic acid; N-(4-formylphenyl)acetamide; 2-propen-1-amine IUPAC Name: 2,6-diaminohexanoic acid; N-(4-formylphenyl)acetamide; prop-2-en-1-amine Traditional Name: allylamine; 2,6-diaminohexanoic acid; N-(4-formylphenyl)acetamide Formula: C18H30N4O4 MolecularWeight: 366.4552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9NO2.C6H14N2O2.C3H7N/c1-7(12)10-9-4-2-8(6-11)3-5-9;7-4-2-1-3-5(8)6(9)10;1-2-3-4/h2-6H,1H3,(H,10,12);5H,1-4,7-8H2,(H,9,10);2H,1,3-4H2