5-octyl-2-(4-phenylphenyl)pyrimidine ethanoate

Systemtic Name: 5-octyl-2-(4-phenylphenyl)pyrimidine ethanoate Openeye Name: 5-octyl-2-(4-phenylphenyl)pyrimidine acetate CAS Name: 5-octyl-2-(4-phenylphenyl)pyrimidine acetate IUPAC Name: 5-octyl-2-(4-phenylphenyl)pyrimidine acetate Traditional Name: 5-octyl-2-(4-phenylphenyl)pyrimidine acetate Formula: C26H31N2O2- MolecularWeight: 403.53654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=CC=C3.CC(=O)[O-]

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=CC=C3.CC(=O)[O-]

InChI

InChI=1S/C24H28N2.C2H4O2/c1-2-3-4-5-6-8-11-20-18-25-24(26-19-20)23-16-14-22(15-17-23)21-12-9-7-10-13-21;1-2(3)4/h7,9-10,12-19H,2-6,8,11H2,1H3;1H3,(H,3,4)/p-1