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

Systemtic Name: 5-pentyl-2-(4-phenylphenyl)pyrimidine ethanoate Openeye Name: 5-pentyl-2-(4-phenylphenyl)pyrimidine acetate CAS Name: 5-pentyl-2-(4-phenylphenyl)pyrimidine acetate IUPAC Name: 5-pentyl-2-(4-phenylphenyl)pyrimidine acetate Traditional Name: 5-amyl-2-(4-phenylphenyl)pyrimidine acetate Formula: C23H25N2O2- MolecularWeight: 361.4568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=CC=C3.CC(=O)[O-]

Isomeric SMILES

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=CC=C3.CC(=O)[O-]

InChI

InChI=1S/C21H22N2.C2H4O2/c1-2-3-5-8-17-15-22-21(23-16-17)20-13-11-19(12-14-20)18-9-6-4-7-10-18;1-2(3)4/h4,6-7,9-16H,2-3,5,8H2,1H3;1H3,(H,3,4)/p-1