5-octadecyl-1,2,5-triazabicyclo[2.1.0]pent-3-ene-2-carboxylic acid

Systemtic Name: 5-octadecyl-1,2,5-triazabicyclo[2.1.0]pent-3-ene-2-carboxylic acid Openeye Name: 5-octadecyl-1,2,5-triazabicyclo[2.1.0]pent-3-ene-2-carboxylic acid CAS Name: 5-octadecyl-1,2,5-triazabicyclo[2.1.0]pent-3-ene-2-carboxylic acid IUPAC Name: 5-octadecyl-1,2,5-triazabicyclo[2.1.0]pent-3-ene-2-carboxylic acid Traditional Name: 5-stearyl-1,2,5-triazabicyclo[2.1.0]pent-3-ene-2-carboxylic acid Formula: C21H39N3O2 MolecularWeight: 365.55326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1C2=CN(N21)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN1C2=CN(N21)C(=O)O

InChI

InChI=1S/C21H39N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-20-19-23(21(25)26)24(20)22/h19H,2-18H2,1H3,(H,25,26)