(1-hexadecanoylpiperidin-4-yl) [4-(5-octylpyrimidin-2-yl)phenyl] carbonate

Systemtic Name: (1-hexadecanoylpiperidin-4-yl) [4-(5-octylpyrimidin-2-yl)phenyl] carbonate Openeye Name: (1-hexadecanoyl-4-piperidyl) [4-(5-octylpyrimidin-2-yl)phenyl] carbonate CAS Name: carbonic acid [4-(5-octyl-2-pyrimidinyl)phenyl] [1-(1-oxohexadecyl)-4-piperidinyl] ester IUPAC Name: (1-hexadecanoylpiperidin-4-yl) [4-(5-octylpyrimidin-2-yl)phenyl] carbonate Traditional Name: carbonic acid (1-hexadecanoyl-4-piperidyl) [4-(5-octylpyrimidin-2-yl)phenyl] ester Formula: C40H63N3O4 MolecularWeight: 649.94592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)N1CCC(CC1)OC(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)N1CCC(CC1)OC(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCCCCC

InChI

InChI=1S/C40H63N3O4/c1-3-5-7-9-11-12-13-14-15-16-17-19-21-23-38(44)43-30-28-37(29-31-43)47-40(45)46-36-26-24-35(25-27-36)39-41-32-34(33-42-39)22-20-18-10-8-6-4-2/h24-27,32-33,37H,3-23,28-31H2,1-2H3