phenyl 1-[2-(4-octoxyphenyl)pyrimidin-5-yl]cyclohexane-1-carboxylate

Systemtic Name: phenyl 1-[2-(4-octoxyphenyl)pyrimidin-5-yl]cyclohexane-1-carboxylate Openeye Name: phenyl 1-[2-(4-octoxyphenyl)pyrimidin-5-yl]cyclohexanecarboxylate CAS Name: 1-[2-(4-octoxyphenyl)-5-pyrimidinyl]-1-cyclohexanecarboxylic acid phenyl ester IUPAC Name: phenyl 1-[2-(4-octoxyphenyl)pyrimidin-5-yl]cyclohexane-1-carboxylate Traditional Name: 1-[2-(4-octoxyphenyl)pyrimidin-5-yl]cyclohexanecarboxylic acid phenyl 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)C3(CCCCC3)C(=O)OC4=CC=CC=C4

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3(CCCCC3)C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C31H38N2O3/c1-2-3-4-5-6-13-22-35-27-18-16-25(17-19-27)29-32-23-26(24-33-29)31(20-11-8-12-21-31)30(34)36-28-14-9-7-10-15-28/h7,9-10,14-19,23-24H,2-6,8,11-13,20-22H2,1H3