tert-butyl 3-(2-chloranylpyrimidin-4-yl)-3-(4-cyanophenyl)propanoate

Systemtic Name: tert-butyl 3-(2-chloranylpyrimidin-4-yl)-3-(4-cyanophenyl)propanoate Openeye Name: tert-butyl 3-(2-chloropyrimidin-4-yl)-3-(4-cyanophenyl)propanoate CAS Name: 3-(2-chloro-4-pyrimidinyl)-3-(4-cyanophenyl)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(2-chloropyrimidin-4-yl)-3-(4-cyanophenyl)propanoate Traditional Name: 3-(2-chloropyrimidin-4-yl)-3-(4-cyanophenyl)propionic acid tert-butyl ester Formula: C18H18ClN3O2 MolecularWeight: 343.80742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(C1=CC=C(C=C1)C#N)C2=NC(=NC=C2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)CC(C1=CC=C(C=C1)C#N)C2=NC(=NC=C2)Cl

InChI

InChI=1S/C18H18ClN3O2/c1-18(2,3)24-16(23)10-14(15-8-9-21-17(19)22-15)13-6-4-12(11-20)5-7-13/h4-9,14H,10H2,1-3H3