3-[ethanoyl-[(E)-octadec-9-enyl]amino]-2-methyl-propanoic acid

Systemtic Name: 3-[ethanoyl-[(E)-octadec-9-enyl]amino]-2-methyl-propanoic acid Openeye Name: 3-[acetyl-[(E)-octadec-9-enyl]amino]-2-methyl-propanoic acid CAS Name: 3-[acetyl-[(E)-octadec-9-enyl]amino]-2-methylpropanoic acid IUPAC Name: 3-[acetyl-[(E)-octadec-9-enyl]amino]-2-methylpropanoic acid Traditional Name: 3-[acetyl-[(E)-octadec-9-enyl]amino]-2-methyl-propionic acid Formula: C24H45NO3 MolecularWeight: 395.619

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCN(CC(C)C(=O)O)C(=O)C

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCN(CC(C)C(=O)O)C(=O)C

InChI

InChI=1S/C24H45NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(23(3)26)21-22(2)24(27)28/h11-12,22H,4-10,13-21H2,1-3H3,(H,27,28)/b12-11+