[2-(4-octoxyphenyl)pyrimidin-5-yl] 4-cyclohexylbenzoate

Systemtic Name: [2-(4-octoxyphenyl)pyrimidin-5-yl] 4-cyclohexylbenzoate Openeye Name: [2-(4-octoxyphenyl)pyrimidin-5-yl] 4-cyclohexylbenzoate CAS Name: 4-cyclohexylbenzoic acid [2-(4-octoxyphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-octoxyphenyl)pyrimidin-5-yl] 4-cyclohexylbenzoate Traditional Name: 4-cyclohexylbenzoic acid [2-(4-octoxyphenyl)pyrimidin-5-yl] ester Formula: C31H38N2O3 MolecularWeight: 486.64502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C3=CC=C(C=C3)C4CCCCC4

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C3=CC=C(C=C3)C4CCCCC4

InChI

InChI=1S/C31H38N2O3/c1-2-3-4-5-6-10-21-35-28-19-17-26(18-20-28)30-32-22-29(23-33-30)36-31(34)27-15-13-25(14-16-27)24-11-8-7-9-12-24/h13-20,22-24H,2-12,21H2,1H3