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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N2O2/c1-4-6-7-8-9-10-19-15-24-22(25-16-19)20-11-13-21(14-12-20)23(26)27-17-18(3)5-2/h11-16,18H,4-10,17H2,1-3H3