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

Systemtic Name: [5-(8-cyclopentyloctyl)-2-pyrimidin-2-yl-phenyl] 2-methyloctanoate Openeye Name: [5-(8-cyclopentyloctyl)-2-pyrimidin-2-yl-phenyl] 2-methyloctanoate CAS Name: 2-methyloctanoic acid [5-(8-cyclopentyloctyl)-2-(2-pyrimidinyl)phenyl] ester IUPAC Name: [5-(8-cyclopentyloctyl)-2-pyrimidin-2-ylphenyl] 2-methyloctanoate Traditional Name: 2-methylcaprylic acid [5-(8-cyclopentyloctyl)-2-(2-pyrimidyl)phenyl] ester Formula: C32H48N2O2 MolecularWeight: 492.73572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H48N2O2/c1-3-4-5-10-16-26(2)32(35)36-30-25-28(21-22-29(30)31-33-23-15-24-34-31)20-12-9-7-6-8-11-17-27-18-13-14-19-27/h15,21-27H,3-14,16-20H2,1-2H3