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

Systemtic Name: [4-(5-octylpyrimidin-2-yl)phenyl] 1-propanoylpiperidine-4-carboxylate Openeye Name: [4-(5-octylpyrimidin-2-yl)phenyl] 1-propanoylpiperidine-4-carboxylate CAS Name: 1-(1-oxopropyl)-4-piperidinecarboxylic acid [4-(5-octyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-octylpyrimidin-2-yl)phenyl] 1-propanoylpiperidine-4-carboxylate Traditional Name: 1-propionylisonipecotic acid [4-(5-octylpyrimidin-2-yl)phenyl] ester Formula: C27H37N3O3 MolecularWeight: 451.60098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3CCN(CC3)C(=O)CC

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3CCN(CC3)C(=O)CC

InChI

InChI=1S/C27H37N3O3/c1-3-5-6-7-8-9-10-21-19-28-26(29-20-21)22-11-13-24(14-12-22)33-27(32)23-15-17-30(18-16-23)25(31)4-2/h11-14,19-20,23H,3-10,15-18H2,1-2H3