propyl 4-(5-heptylpyrimidin-2-yl)benzoate

Systemtic Name: propyl 4-(5-heptylpyrimidin-2-yl)benzoate Openeye Name: propyl 4-(5-heptylpyrimidin-2-yl)benzoate CAS Name: 4-(5-heptyl-2-pyrimidinyl)benzoic acid propyl ester IUPAC Name: propyl 4-(5-heptylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-heptylpyrimidin-2-yl)benzoic acid propyl ester Formula: C21H28N2O2 MolecularWeight: 340.45922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OCCC

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OCCC

InChI

InChI=1S/C21H28N2O2/c1-3-5-6-7-8-9-17-15-22-20(23-16-17)18-10-12-19(13-11-18)21(24)25-14-4-2/h10-13,15-16H,3-9,14H2,1-2H3