pyrimidin-2-yl 3-(4-butylphenyl)benzoate

Systemtic Name: pyrimidin-2-yl 3-(4-butylphenyl)benzoate Openeye Name: pyrimidin-2-yl 3-(4-butylphenyl)benzoate CAS Name: 3-(4-butylphenyl)benzoic acid 2-pyrimidinyl ester IUPAC Name: pyrimidin-2-yl 3-(4-butylphenyl)benzoate Traditional Name: 3-(4-butylphenyl)benzoic acid 2-pyrimidyl ester Formula: C21H20N2O2 MolecularWeight: 332.3957

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CC(=CC=C2)C(=O)OC3=NC=CC=N3

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CC(=CC=C2)C(=O)OC3=NC=CC=N3

InChI

InChI=1S/C21H20N2O2/c1-2-3-6-16-9-11-17(12-10-16)18-7-4-8-19(15-18)20(24)25-21-22-13-5-14-23-21/h4-5,7-15H,2-3,6H2,1H3