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

Systemtic Name: [4-(2-octylpyrimidin-5-yl)phenyl] 1-octanoylpiperidine-4-carboxylate Openeye Name: [4-(2-octylpyrimidin-5-yl)phenyl] 1-octanoylpiperidine-4-carboxylate CAS Name: 1-(1-oxooctyl)-4-piperidinecarboxylic acid [4-(2-octyl-5-pyrimidinyl)phenyl] ester IUPAC Name: [4-(2-octylpyrimidin-5-yl)phenyl] 1-octanoylpiperidine-4-carboxylate Traditional Name: 1-caprylylisonipecotic acid [4-(2-octylpyrimidin-5-yl)phenyl] ester Formula: C32H47N3O3 MolecularWeight: 521.73388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=NC=C(C=N1)C2=CC=C(C=C2)OC(=O)C3CCN(CC3)C(=O)CCCCCCC

Isomeric SMILES

CCCCCCCCC1=NC=C(C=N1)C2=CC=C(C=C2)OC(=O)C3CCN(CC3)C(=O)CCCCCCC

InChI

InChI=1S/C32H47N3O3/c1-3-5-7-9-11-12-14-30-33-24-28(25-34-30)26-16-18-29(19-17-26)38-32(37)27-20-22-35(23-21-27)31(36)15-13-10-8-6-4-2/h16-19,24-25,27H,3-15,20-23H2,1-2H3