phenyl 4-[5-(7-cyclopentylheptoxy)pyrimidin-2-yl]-2-methyl-octanoate

Systemtic Name: phenyl 4-[5-(7-cyclopentylheptoxy)pyrimidin-2-yl]-2-methyl-octanoate Openeye Name: phenyl 4-[5-(7-cyclopentylheptoxy)pyrimidin-2-yl]-2-methyl-octanoate CAS Name: 4-[5-(7-cyclopentylheptoxy)-2-pyrimidinyl]-2-methyloctanoic acid phenyl ester IUPAC Name: phenyl 4-[5-(7-cyclopentylheptoxy)pyrimidin-2-yl]-2-methyloctanoate Traditional Name: 4-[5-(7-cyclopentylheptoxy)pyrimidin-2-yl]-2-methyl-caprylic acid phenyl ester Formula: C31H46N2O3 MolecularWeight: 494.70854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC(C)C(=O)OC1=CC=CC=C1)C2=NC=C(C=N2)OCCCCCCCC3CCCC3

Isomeric SMILES

CCCCC(CC(C)C(=O)OC1=CC=CC=C1)C2=NC=C(C=N2)OCCCCCCCC3CCCC3

InChI

InChI=1S/C31H46N2O3/c1-3-4-18-27(22-25(2)31(34)36-28-19-10-8-11-20-28)30-32-23-29(24-33-30)35-21-14-7-5-6-9-15-26-16-12-13-17-26/h8,10-11,19-20,23-27H,3-7,9,12-18,21-22H2,1-2H3