ethyl 4-[5-(4-decylphenyl)pyrimidin-2-yl]benzoate

Systemtic Name: ethyl 4-[5-(4-decylphenyl)pyrimidin-2-yl]benzoate Openeye Name: ethyl 4-[5-(4-decylphenyl)pyrimidin-2-yl]benzoate CAS Name: 4-[5-(4-decylphenyl)-2-pyrimidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-(4-decylphenyl)pyrimidin-2-yl]benzoate Traditional Name: 4-[5-(4-decylphenyl)pyrimidin-2-yl]benzoic acid ethyl ester Formula: C29H36N2O2 MolecularWeight: 444.60834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C29H36N2O2/c1-3-5-6-7-8-9-10-11-12-23-13-15-24(16-14-23)27-21-30-28(31-22-27)25-17-19-26(20-18-25)29(32)33-4-2/h13-22H,3-12H2,1-2H3