cyclodecane; (4-pyrimidin-2-ylphenyl) undecanoate

Systemtic Name: cyclodecane; (4-pyrimidin-2-ylphenyl) undecanoate Openeye Name: cyclodecane; (4-pyrimidin-2-ylphenyl) undecanoate CAS Name: cyclodecane; undecanoic acid [4-(2-pyrimidinyl)phenyl] ester IUPAC Name: cyclodecane; (4-pyrimidin-2-ylphenyl) undecanoate Traditional Name: cyclodecane; undecanoic acid [4-(2-pyrimidyl)phenyl] ester Formula: C31H48N2O2 MolecularWeight: 480.72502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(=O)OC1=CC=C(C=C1)C2=NC=CC=N2.C1CCCCCCCCC1

Isomeric SMILES

CCCCCCCCCCC(=O)OC1=CC=C(C=C1)C2=NC=CC=N2.C1CCCCCCCCC1

InChI

InChI=1S/C21H28N2O2.C10H20/c1-2-3-4-5-6-7-8-9-11-20(24)25-19-14-12-18(13-15-19)21-22-16-10-17-23-21;1-2-4-6-8-10-9-7-5-3-1/h10,12-17H,2-9,11H2,1H3;1-10H2