[3-(isoquinolin-3-ylmethyl)phenyl] (2-methoxy-3-octadecoxy-propyl) hydrogen phosphate

Systemtic Name: [3-(isoquinolin-3-ylmethyl)phenyl] (2-methoxy-3-octadecoxy-propyl) hydrogen phosphate Openeye Name: [3-(3-isoquinolylmethyl)phenyl] (2-methoxy-3-octadecoxy-propyl) hydrogen phosphate CAS Name: [3-(3-isoquinolinylmethyl)phenyl] (2-methoxy-3-octadecoxypropyl) hydrogen phosphate IUPAC Name: [3-(isoquinolin-3-ylmethyl)phenyl] (2-methoxy-3-octadecoxypropyl) hydrogen phosphate Traditional Name: [3-(3-isoquinolylmethyl)phenyl] (2-methoxy-3-stearyloxy-propyl) hydrogen phosphate Formula: C38H58NO6P MolecularWeight: 655.843981

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1=CC=CC(=C1)CC2=CC3=CC=CC=C3C=N2)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1=CC=CC(=C1)CC2=CC3=CC=CC=C3C=N2)OC

InChI

InChI=1S/C38H58NO6P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-43-31-38(42-2)32-44-46(40,41)45-37-25-21-22-33(28-37)27-36-29-34-23-18-19-24-35(34)30-39-36/h18-19,21-25,28-30,38H,3-17,20,26-27,31-32H2,1-2H3,(H,40,41)