N-[2-[[2-(benzotriazol-1-yl)-2-octadecoxy-ethanoyl]amino]phenyl]octanamide

Systemtic Name: N-[2-[[2-(benzotriazol-1-yl)-2-octadecoxy-ethanoyl]amino]phenyl]octanamide Openeye Name: N-[2-[[2-(benzotriazol-1-yl)-2-octadecoxy-acetyl]amino]phenyl]octanamide CAS Name: N-[2-[[2-(1-benzotriazolyl)-2-octadecoxy-1-oxoethyl]amino]phenyl]octanamide IUPAC Name: N-[2-[[2-(benzotriazol-1-yl)-2-octadecoxyacetyl]amino]phenyl]octanamide Traditional Name: N-[2-[[2-(benzotriazol-1-yl)-2-stearyloxy-acetyl]amino]phenyl]caprylamide Formula: C40H63N5O3 MolecularWeight: 661.95992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(C(=O)NC1=CC=CC=C1NC(=O)CCCCCCC)N2C3=CC=CC=C3N=N2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(C(=O)NC1=CC=CC=C1NC(=O)CCCCCCC)N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C40H63N5O3/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-27-33-48-40(45-37-31-26-25-30-36(37)43-44-45)39(47)42-35-29-24-23-28-34(35)41-38(46)32-22-20-8-6-4-2/h23-26,28-31,40H,3-22,27,32-33H2,1-2H3,(H,41,46)(H,42,47)