[5-(8-cyclopentyloctyl)-2-pyrimidin-2-yl-phenyl] 2-chloranyloctanoate

Systemtic Name: [5-(8-cyclopentyloctyl)-2-pyrimidin-2-yl-phenyl] 2-chloranyloctanoate Openeye Name: [5-(8-cyclopentyloctyl)-2-pyrimidin-2-yl-phenyl] 2-chlorooctanoate CAS Name: 2-chlorooctanoic acid [5-(8-cyclopentyloctyl)-2-(2-pyrimidinyl)phenyl] ester IUPAC Name: [5-(8-cyclopentyloctyl)-2-pyrimidin-2-ylphenyl] 2-chlorooctanoate Traditional Name: 2-chlorocaprylic acid [5-(8-cyclopentyloctyl)-2-(2-pyrimidyl)phenyl] ester Formula: C31H45ClN2O2 MolecularWeight: 513.1542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)OC1=C(C=CC(=C1)CCCCCCCCC2CCCC2)C3=NC=CC=N3)Cl

Isomeric SMILES

CCCCCCC(C(=O)OC1=C(C=CC(=C1)CCCCCCCCC2CCCC2)C3=NC=CC=N3)Cl

InChI

InChI=1S/C31H45ClN2O2/c1-2-3-4-11-19-28(32)31(35)36-29-24-26(20-21-27(29)30-33-22-14-23-34-30)18-10-8-6-5-7-9-15-25-16-12-13-17-25/h14,20-25,28H,2-13,15-19H2,1H3