2-[(phenylmethyl)amino]ethyl 2-(undecanoylamino)octyl hydrogen phosphate

Systemtic Name: 2-[(phenylmethyl)amino]ethyl 2-(undecanoylamino)octyl hydrogen phosphate Openeye Name: 2-(benzylamino)ethyl 2-(undecanoylamino)octyl hydrogen phosphate CAS Name: 2-(1-oxoundecylamino)octyl 2-[(phenylmethyl)amino]ethyl hydrogen phosphate IUPAC Name: 2-(benzylamino)ethyl 2-(undecanoylamino)octyl hydrogen phosphate Traditional Name: 2-(benzylamino)ethyl 2-(undecanoylamino)octyl hydrogen phosphate Formula: C28H51N2O5P MolecularWeight: 526.688701

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(=O)NC(CCCCCC)COP(=O)(O)OCCNCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCC(=O)NC(CCCCCC)COP(=O)(O)OCCNCC1=CC=CC=C1

InChI

InChI=1S/C28H51N2O5P/c1-3-5-7-9-10-11-12-17-21-28(31)30-27(20-16-8-6-4-2)25-35-36(32,33)34-23-22-29-24-26-18-14-13-15-19-26/h13-15,18-19,27,29H,3-12,16-17,20-25H2,1-2H3,(H,30,31)(H,32,33)