ethyl 2-cyano-2-(2-phenylpyrimidin-4-yl)propanoate

Systemtic Name: ethyl 2-cyano-2-(2-phenylpyrimidin-4-yl)propanoate Openeye Name: ethyl 2-cyano-2-(2-phenylpyrimidin-4-yl)propanoate CAS Name: 2-cyano-2-(2-phenyl-4-pyrimidinyl)propanoic acid ethyl ester IUPAC Name: ethyl 2-cyano-2-(2-phenylpyrimidin-4-yl)propanoate Traditional Name: 2-cyano-2-(2-phenylpyrimidin-4-yl)propionic acid ethyl ester Formula: C16H15N3O2 MolecularWeight: 281.3092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C#N)C1=NC(=NC=C1)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(C)(C#N)C1=NC(=NC=C1)C2=CC=CC=C2

InChI

InChI=1S/C16H15N3O2/c1-3-21-15(20)16(2,11-17)13-9-10-18-14(19-13)12-7-5-4-6-8-12/h4-10H,3H2,1-2H3