3-oxidanylidenehexan-2-yl 4-(5-heptylpyrimidin-2-yl)benzoate

Systemtic Name: 3-oxidanylidenehexan-2-yl 4-(5-heptylpyrimidin-2-yl)benzoate Openeye Name: (1-methyl-2-oxo-pentyl) 4-(5-heptylpyrimidin-2-yl)benzoate CAS Name: 4-(5-heptyl-2-pyrimidinyl)benzoic acid 3-oxohexan-2-yl ester IUPAC Name: 3-oxohexan-2-yl 4-(5-heptylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-heptylpyrimidin-2-yl)benzoic acid (2-keto-1-methyl-pentyl) ester Formula: C24H32N2O3 MolecularWeight: 396.52248

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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)CCC

Isomeric SMILES

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

InChI

InChI=1S/C24H32N2O3/c1-4-6-7-8-9-11-19-16-25-23(26-17-19)20-12-14-21(15-13-20)24(28)29-18(3)22(27)10-5-2/h12-18H,4-11H2,1-3H3