[4-(7-cyclopentylheptoxy)-3-phenyl-2-pyrimidin-5-yl-phenyl] 2-methyloctanoate

Systemtic Name: [4-(7-cyclopentylheptoxy)-3-phenyl-2-pyrimidin-5-yl-phenyl] 2-methyloctanoate Openeye Name: [4-(7-cyclopentylheptoxy)-3-phenyl-2-pyrimidin-5-yl-phenyl] 2-methyloctanoate CAS Name: 2-methyloctanoic acid [4-(7-cyclopentylheptoxy)-3-phenyl-2-(5-pyrimidinyl)phenyl] ester IUPAC Name: [4-(7-cyclopentylheptoxy)-3-phenyl-2-pyrimidin-5-ylphenyl] 2-methyloctanoate Traditional Name: 2-methylcaprylic acid [4-(7-cyclopentylheptoxy)-3-phenyl-2-(5-pyrimidyl)phenyl] ester Formula: C37H50N2O3 MolecularWeight: 570.8045

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)C(=O)OC1=C(C(=C(C=C1)OCCCCCCCC2CCCC2)C3=CC=CC=C3)C4=CN=CN=C4

Isomeric SMILES

CCCCCCC(C)C(=O)OC1=C(C(=C(C=C1)OCCCCCCCC2CCCC2)C3=CC=CC=C3)C4=CN=CN=C4

InChI

InChI=1S/C37H50N2O3/c1-3-4-5-10-17-29(2)37(40)42-34-24-23-33(41-25-16-8-6-7-11-18-30-19-14-15-20-30)35(31-21-12-9-13-22-31)36(34)32-26-38-28-39-27-32/h9,12-13,21-24,26-30H,3-8,10-11,14-20,25H2,1-2H3