pyrimidin-5-yl 4-nonyl-2-(4-propylphenyl)benzoate

Systemtic Name: pyrimidin-5-yl 4-nonyl-2-(4-propylphenyl)benzoate Openeye Name: pyrimidin-5-yl 4-nonyl-2-(4-propylphenyl)benzoate CAS Name: 4-nonyl-2-(4-propylphenyl)benzoic acid 5-pyrimidinyl ester IUPAC Name: pyrimidin-5-yl 4-nonyl-2-(4-propylphenyl)benzoate Traditional Name: 4-nonyl-2-(4-propylphenyl)benzoic acid 5-pyrimidyl ester Formula: C29H36N2O2 MolecularWeight: 444.60834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC(=C(C=C1)C(=O)OC2=CN=CN=C2)C3=CC=C(C=C3)CCC

Isomeric SMILES

CCCCCCCCCC1=CC(=C(C=C1)C(=O)OC2=CN=CN=C2)C3=CC=C(C=C3)CCC

InChI

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