(E)-N-ethyl-N,6,6-trimethyl-hept-2-en-4-yn-1-amine; 1-phenylethanone

Systemtic Name: (E)-N-ethyl-N,6,6-trimethyl-hept-2-en-4-yn-1-amine; 1-phenylethanone Openeye Name: (E)-N-ethyl-N,6,6-trimethyl-hept-2-en-4-yn-1-amine; 1-phenylethanone CAS Name: (E)-N-ethyl-N,6,6-trimethyl-1-hept-2-en-4-ynamine; 1-phenylethanone IUPAC Name: (E)-N-ethyl-N,6,6-trimethylhept-2-en-4-yn-1-amine; 1-phenylethanone Traditional Name: acetophenone; [(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-methyl-amine Formula: C20H29NO MolecularWeight: 299.45036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C)CC=CC#CC(C)(C)C.CC(=O)C1=CC=CC=C1

Isomeric SMILES

CCN(C)C/C=C/C#CC(C)(C)C.CC(=O)C1=CC=CC=C1

InChI

InChI=1S/C12H21N.C8H8O/c1-6-13(5)11-9-7-8-10-12(2,3)4;1-7(9)8-5-3-2-4-6-8/h7,9H,6,11H2,1-5H3;2-6H,1H3/b9-7+;