pyrimidin-5-yl 2-(4-hexylphenyl)-4-propyl-benzoate

Systemtic Name: pyrimidin-5-yl 2-(4-hexylphenyl)-4-propyl-benzoate Openeye Name: pyrimidin-5-yl 2-(4-hexylphenyl)-4-propyl-benzoate CAS Name: 2-(4-hexylphenyl)-4-propylbenzoic acid 5-pyrimidinyl ester IUPAC Name: pyrimidin-5-yl 2-(4-hexylphenyl)-4-propylbenzoate Traditional Name: 2-(4-hexylphenyl)-4-propyl-benzoic acid 5-pyrimidyl ester Formula: C26H30N2O2 MolecularWeight: 402.5286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=C(C=CC(=C2)CCC)C(=O)OC3=CN=CN=C3

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=C(C=CC(=C2)CCC)C(=O)OC3=CN=CN=C3

InChI

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