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

Systemtic Name: tert-butyl 4-[(2-butyl-6-chloranyl-5-ethyl-pyrimidin-4-yl)methyl]benzoate ethanoate Openeye Name: tert-butyl 4-[(2-butyl-6-chloro-5-ethyl-pyrimidin-4-yl)methyl]benzoate acetate CAS Name: 4-[(2-butyl-6-chloro-5-ethyl-4-pyrimidinyl)methyl]benzoic acid tert-butyl ester acetate IUPAC Name: tert-butyl 4-[(2-butyl-6-chloro-5-ethylpyrimidin-4-yl)methyl]benzoate acetate Traditional Name: 4-[(2-butyl-6-chloro-5-ethyl-pyrimidin-4-yl)methyl]benzoic acid tert-butyl ester acetate Formula: C24H32ClN2O4- MolecularWeight: 447.97488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29ClN2O2.C2H4O2/c1-6-8-9-19-24-18(17(7-2)20(23)25-19)14-15-10-12-16(13-11-15)21(26)27-22(3,4)5;1-2(3)4/h10-13H,6-9,14H2,1-5H3;1H3,(H,3,4)/p-1