4-[(2-butyl-6-chloranyl-5-ethyl-pyrimidin-4-yl)methyl]benzoic acid ethanoate

Systemtic Name: 4-[(2-butyl-6-chloranyl-5-ethyl-pyrimidin-4-yl)methyl]benzoic acid ethanoate Openeye Name: 4-[(2-butyl-6-chloro-5-ethyl-pyrimidin-4-yl)methyl]benzoic acid acetate CAS Name: 4-[(2-butyl-6-chloro-5-ethyl-4-pyrimidinyl)methyl]benzoic acid acetate IUPAC Name: 4-[(2-butyl-6-chloro-5-ethylpyrimidin-4-yl)methyl]benzoic acid acetate Traditional Name: 4-[(2-butyl-6-chloro-5-ethyl-pyrimidin-4-yl)methyl]benzoic acid acetate Formula: C20H24ClN2O4- MolecularWeight: 391.86856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C(=N1)Cl)CC)CC2=CC=C(C=C2)C(=O)O.CC(=O)[O-]

Isomeric SMILES

CCCCC1=NC(=C(C(=N1)Cl)CC)CC2=CC=C(C=C2)C(=O)O.CC(=O)[O-]

InChI

InChI=1S/C18H21ClN2O2.C2H4O2/c1-3-5-6-16-20-15(14(4-2)17(19)21-16)11-12-7-9-13(10-8-12)18(22)23;1-2(3)4/h7-10H,3-6,11H2,1-2H3,(H,22,23);1H3,(H,3,4)/p-1