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

Systemtic Name: methyl 4-[5-(4-octylphenyl)pyrimidin-2-yl]benzoate Openeye Name: methyl 4-[5-(4-octylphenyl)pyrimidin-2-yl]benzoate CAS Name: 4-[5-(4-octylphenyl)-2-pyrimidinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-(4-octylphenyl)pyrimidin-2-yl]benzoate Traditional Name: 4-[5-(4-octylphenyl)pyrimidin-2-yl]benzoic acid methyl ester Formula: C26H30N2O2 MolecularWeight: 402.5286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C26H30N2O2/c1-3-4-5-6-7-8-9-20-10-12-21(13-11-20)24-18-27-25(28-19-24)22-14-16-23(17-15-22)26(29)30-2/h10-19H,3-9H2,1-2H3