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

Systemtic Name: methyl 4-[5-(4-octoxyphenyl)pyrimidin-2-yl]benzoate Openeye Name: methyl 4-[5-(4-octoxyphenyl)pyrimidin-2-yl]benzoate CAS Name: 4-[5-(4-octoxyphenyl)-2-pyrimidinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-(4-octoxyphenyl)pyrimidin-2-yl]benzoate Traditional Name: 4-[5-(4-octoxyphenyl)pyrimidin-2-yl]benzoic acid methyl ester Formula: C26H30N2O3 MolecularWeight: 418.528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C26H30N2O3/c1-3-4-5-6-7-8-17-31-24-15-13-20(14-16-24)23-18-27-25(28-19-23)21-9-11-22(12-10-21)26(29)30-2/h9-16,18-19H,3-8,17H2,1-2H3