tert-butyl 4-[2-(4-chloranylpyrimidin-5-yl)ethyl]benzoate

Systemtic Name: tert-butyl 4-[2-(4-chloranylpyrimidin-5-yl)ethyl]benzoate Openeye Name: tert-butyl 4-[2-(4-chloropyrimidin-5-yl)ethyl]benzoate CAS Name: 4-[2-(4-chloro-5-pyrimidinyl)ethyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(4-chloropyrimidin-5-yl)ethyl]benzoate Traditional Name: 4-[2-(4-chloropyrimidin-5-yl)ethyl]benzoic acid tert-butyl ester Formula: C17H19ClN2O2 MolecularWeight: 318.79796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(C=C1)CCC2=CN=CN=C2Cl

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)CCC2=CN=CN=C2Cl

InChI

InChI=1S/C17H19ClN2O2/c1-17(2,3)22-16(21)13-7-4-12(5-8-13)6-9-14-10-19-11-20-15(14)18/h4-5,7-8,10-11H,6,9H2,1-3H3