[2-(4-octoxyphenyl)pyrimidin-5-yl] 3-cyclohexylpropanoate

Systemtic Name: [2-(4-octoxyphenyl)pyrimidin-5-yl] 3-cyclohexylpropanoate Openeye Name: [2-(4-octoxyphenyl)pyrimidin-5-yl] 3-cyclohexylpropanoate CAS Name: 3-cyclohexylpropanoic acid [2-(4-octoxyphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-octoxyphenyl)pyrimidin-5-yl] 3-cyclohexylpropanoate Traditional Name: 3-cyclohexylpropionic acid [2-(4-octoxyphenyl)pyrimidin-5-yl] ester Formula: C27H38N2O3 MolecularWeight: 438.60222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCC3CCCCC3

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCC3CCCCC3

InChI

InChI=1S/C27H38N2O3/c1-2-3-4-5-6-10-19-31-24-16-14-23(15-17-24)27-28-20-25(21-29-27)32-26(30)18-13-22-11-8-7-9-12-22/h14-17,20-22H,2-13,18-19H2,1H3