methyl 4-[5-(4-decoxyphenyl)pyrimidin-2-yl]benzoate

Systemtic Name: methyl 4-[5-(4-decoxyphenyl)pyrimidin-2-yl]benzoate Openeye Name: methyl 4-[5-(4-decoxyphenyl)pyrimidin-2-yl]benzoate CAS Name: 4-[5-(4-decoxyphenyl)-2-pyrimidinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-(4-decoxyphenyl)pyrimidin-2-yl]benzoate Traditional Name: 4-[5-(4-decoxyphenyl)pyrimidin-2-yl]benzoic acid methyl ester Formula: C28H34N2O3 MolecularWeight: 446.58116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C28H34N2O3/c1-3-4-5-6-7-8-9-10-19-33-26-17-15-22(16-18-26)25-20-29-27(30-21-25)23-11-13-24(14-12-23)28(31)32-2/h11-18,20-21H,3-10,19H2,1-2H3