[1-octadecoxy-3-[oxidanyl(5-pyrrolidin-1-ylpentoxy)phosphoryl]oxy-propan-2-yl] 3-oxidanylidenebutanoate

Systemtic Name: [1-octadecoxy-3-[oxidanyl(5-pyrrolidin-1-ylpentoxy)phosphoryl]oxy-propan-2-yl] 3-oxidanylidenebutanoate Openeye Name: [1-[[hydroxy(5-pyrrolidin-1-ylpentoxy)phosphoryl]oxymethyl]-2-octadecoxy-ethyl] 3-oxobutanoate CAS Name: 3-oxobutanoic acid [1-[hydroxy-[5-(1-pyrrolidinyl)pentoxy]phosphoryl]oxy-3-octadecoxypropan-2-yl] ester IUPAC Name: [1-[hydroxy(5-pyrrolidin-1-ylpentoxy)phosphoryl]oxy-3-octadecoxypropan-2-yl] 3-oxobutanoate Traditional Name: 3-ketobutyric acid [1-[[hydroxy(5-pyrrolidinopentoxy)phosphoryl]oxymethyl]-2-stearyloxy-ethyl] ester Formula: C34H66NO8P MolecularWeight: 647.863501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCCCCCN1CCCC1)OC(=O)CC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCCCCCN1CCCC1)OC(=O)CC(=O)C

InChI

InChI=1S/C34H66NO8P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27-40-30-33(43-34(37)29-32(2)36)31-42-44(38,39)41-28-23-18-19-24-35-25-20-21-26-35/h33H,3-31H2,1-2H3,(H,38,39)