3-[4-(hexadecylamino)phenyl]prop-2-ynoyl chloride

Systemtic Name: 3-[4-(hexadecylamino)phenyl]prop-2-ynoyl chloride Openeye Name: 3-[4-(hexadecylamino)phenyl]prop-2-ynoyl chloride CAS Name: 3-[4-(hexadecylamino)phenyl]-2-propynoyl chloride IUPAC Name: 3-[4-(hexadecylamino)phenyl]prop-2-ynoyl chloride Traditional Name: 3-[4-(cetylamino)phenyl]propioloyl chloride Formula: C25H38ClNO MolecularWeight: 404.02832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C#CC(=O)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C#CC(=O)Cl

InChI

InChI=1S/C25H38ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-27-24-19-16-23(17-20-24)18-21-25(26)28/h16-17,19-20,27H,2-15,22H2,1H3