[5-(7-cyclopentylheptoxy)-2-pyrimidin-2-yl-phenyl] 2-methyloctanoate

Systemtic Name: [5-(7-cyclopentylheptoxy)-2-pyrimidin-2-yl-phenyl] 2-methyloctanoate Openeye Name: [5-(7-cyclopentylheptoxy)-2-pyrimidin-2-yl-phenyl] 2-methyloctanoate CAS Name: 2-methyloctanoic acid [5-(7-cyclopentylheptoxy)-2-(2-pyrimidinyl)phenyl] ester IUPAC Name: [5-(7-cyclopentylheptoxy)-2-pyrimidin-2-ylphenyl] 2-methyloctanoate Traditional Name: 2-methylcaprylic acid [5-(7-cyclopentylheptoxy)-2-(2-pyrimidyl)phenyl] ester Formula: C31H46N2O3 MolecularWeight: 494.70854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)C(=O)OC1=C(C=CC(=C1)OCCCCCCCC2CCCC2)C3=NC=CC=N3

Isomeric SMILES

CCCCCCC(C)C(=O)OC1=C(C=CC(=C1)OCCCCCCCC2CCCC2)C3=NC=CC=N3

InChI

InChI=1S/C31H46N2O3/c1-3-4-5-9-15-25(2)31(34)36-29-24-27(19-20-28(29)30-32-21-14-22-33-30)35-23-13-8-6-7-10-16-26-17-11-12-18-26/h14,19-22,24-26H,3-13,15-18,23H2,1-2H3