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

Systemtic Name: [4-(2-undecylpyrimidin-5-yl)phenyl] 1-hexadecanoylpiperidine-4-carboxylate Openeye Name: [4-(2-undecylpyrimidin-5-yl)phenyl] 1-hexadecanoylpiperidine-4-carboxylate CAS Name: 1-(1-oxohexadecyl)-4-piperidinecarboxylic acid [4-(2-undecyl-5-pyrimidinyl)phenyl] ester IUPAC Name: [4-(2-undecylpyrimidin-5-yl)phenyl] 1-hexadecanoylpiperidine-4-carboxylate Traditional Name: 1-hexadecanoylisonipecotic acid [4-(2-undecylpyrimidin-5-yl)phenyl] ester Formula: C43H69N3O3 MolecularWeight: 676.02626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)N1CCC(CC1)C(=O)OC2=CC=C(C=C2)C3=CN=C(N=C3)CCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)N1CCC(CC1)C(=O)OC2=CC=C(C=C2)C3=CN=C(N=C3)CCCCCCCCCCC

InChI

InChI=1S/C43H69N3O3/c1-3-5-7-9-11-13-14-15-16-18-20-22-24-26-42(47)46-33-31-38(32-34-46)43(48)49-40-29-27-37(28-30-40)39-35-44-41(45-36-39)25-23-21-19-17-12-10-8-6-4-2/h27-30,35-36,38H,3-26,31-34H2,1-2H3