heptyl 4-(5-pentylpyrimidin-2-yl)benzoate

Systemtic Name: heptyl 4-(5-pentylpyrimidin-2-yl)benzoate Openeye Name: heptyl 4-(5-pentylpyrimidin-2-yl)benzoate CAS Name: 4-(5-pentyl-2-pyrimidinyl)benzoic acid heptyl ester IUPAC Name: heptyl 4-(5-pentylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-amylpyrimidin-2-yl)benzoic acid heptyl ester Formula: C23H32N2O2 MolecularWeight: 368.51238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=CC=C(C=C1)C2=NC=C(C=N2)CCCCC

Isomeric SMILES

CCCCCCCOC(=O)C1=CC=C(C=C1)C2=NC=C(C=N2)CCCCC

InChI

InChI=1S/C23H32N2O2/c1-3-5-7-8-10-16-27-23(26)21-14-12-20(13-15-21)22-24-17-19(18-25-22)11-9-6-4-2/h12-15,17-18H,3-11,16H2,1-2H3