[4-(5-octylpyrimidin-2-yl)phenyl] 1-hexadecanoylpiperidine-4-carboxylate

Systemtic Name: [4-(5-octylpyrimidin-2-yl)phenyl] 1-hexadecanoylpiperidine-4-carboxylate Openeye Name: [4-(5-octylpyrimidin-2-yl)phenyl] 1-hexadecanoylpiperidine-4-carboxylate CAS Name: 1-(1-oxohexadecyl)-4-piperidinecarboxylic acid [4-(5-octyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-octylpyrimidin-2-yl)phenyl] 1-hexadecanoylpiperidine-4-carboxylate Traditional Name: 1-hexadecanoylisonipecotic acid [4-(5-octylpyrimidin-2-yl)phenyl] ester Formula: C40H63N3O3 MolecularWeight: 633.94652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H63N3O3/c1-3-5-7-9-11-12-13-14-15-16-17-19-21-23-38(44)43-30-28-36(29-31-43)40(45)46-37-26-24-35(25-27-37)39-41-32-34(33-42-39)22-20-18-10-8-6-4-2/h24-27,32-33,36H,3-23,28-31H2,1-2H3