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

Systemtic Name: pyrimidin-5-yl 2-(4-pentylphenyl)-4-propyl-benzoate Openeye Name: pyrimidin-5-yl 2-(4-pentylphenyl)-4-propyl-benzoate CAS Name: 2-(4-pentylphenyl)-4-propylbenzoic acid 5-pyrimidinyl ester IUPAC Name: pyrimidin-5-yl 2-(4-pentylphenyl)-4-propylbenzoate Traditional Name: 2-(4-amylphenyl)-4-propyl-benzoic acid 5-pyrimidyl ester Formula: C25H28N2O2 MolecularWeight: 388.50202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=C(C=CC(=C2)CCC)C(=O)OC3=CN=CN=C3

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=C(C=CC(=C2)CCC)C(=O)OC3=CN=CN=C3

InChI

InChI=1S/C25H28N2O2/c1-3-5-6-8-19-9-12-21(13-10-19)24-15-20(7-4-2)11-14-23(24)25(28)29-22-16-26-18-27-17-22/h9-18H,3-8H2,1-2H3