3-oxidanylidenehept-4-yn-2-yl 4-(5-heptylpyrimidin-2-yl)benzoate

Systemtic Name: 3-oxidanylidenehept-4-yn-2-yl 4-(5-heptylpyrimidin-2-yl)benzoate Openeye Name: (1-methyl-2-oxo-hex-3-ynyl) 4-(5-heptylpyrimidin-2-yl)benzoate CAS Name: 4-(5-heptyl-2-pyrimidinyl)benzoic acid 3-oxohept-4-yn-2-yl ester IUPAC Name: 3-oxohept-4-yn-2-yl 4-(5-heptylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-heptylpyrimidin-2-yl)benzoic acid (2-keto-1-methyl-hex-3-ynyl) ester Formula: C25H30N2O3 MolecularWeight: 406.5173

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC(C)C(=O)C#CCC

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC(C)C(=O)C#CCC

InChI

InChI=1S/C25H30N2O3/c1-4-6-8-9-10-11-20-17-26-24(27-18-20)21-13-15-22(16-14-21)25(29)30-19(3)23(28)12-7-5-2/h13-19H,4-6,8-11H2,1-3H3