2-(prop-2-enoylamino)octadecanoic acid

Systemtic Name: 2-(prop-2-enoylamino)octadecanoic acid Openeye Name: 2-(prop-2-enoylamino)octadecanoic acid CAS Name: 2-(1-oxoprop-2-enylamino)octadecanoic acid IUPAC Name: 2-(prop-2-enoylamino)octadecanoic acid Traditional Name: 2-acrylamidostearic acid Formula: C21H39NO3 MolecularWeight: 353.53926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C(=O)O)NC(=O)C=C

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C(=O)O)NC(=O)C=C

InChI

InChI=1S/C21H39NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(21(24)25)22-20(23)4-2/h4,19H,2-3,5-18H2,1H3,(H,22,23)(H,24,25)