N-ethylethanamine; 2-(5-ethyl-2-methyl-phenoxy)propanoate

Systemtic Name: N-ethylethanamine; 2-(5-ethyl-2-methyl-phenoxy)propanoate Openeye Name: N-ethylethanamine; 2-(5-ethyl-2-methyl-phenoxy)propanoate CAS Name: N-ethylethanamine; 2-(5-ethyl-2-methylphenoxy)propanoate IUPAC Name: N-ethylethanamine; 2-(5-ethyl-2-methylphenoxy)propanoate Traditional Name: diethylamine; 2-(5-ethyl-2-methyl-phenoxy)propionate Formula: C16H26NO3- MolecularWeight: 280.38254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)C)OC(C)C(=O)[O-].CCNCC

Isomeric SMILES

CCC1=CC(=C(C=C1)C)OC(C)C(=O)[O-].CCNCC

InChI

InChI=1S/C12H16O3.C4H11N/c1-4-10-6-5-8(2)11(7-10)15-9(3)12(13)14;1-3-5-4-2/h5-7,9H,4H2,1-3H3,(H,13,14);5H,3-4H2,1-2H3/p-1