ethyl 2-(6-ethyl-2-methyl-4-oxidanylidene-5-phenyl-pyrimidin-1-yl)benzoate

Systemtic Name: ethyl 2-(6-ethyl-2-methyl-4-oxidanylidene-5-phenyl-pyrimidin-1-yl)benzoate Openeye Name: ethyl 2-(6-ethyl-2-methyl-4-oxo-5-phenyl-pyrimidin-1-yl)benzoate CAS Name: 2-(6-ethyl-2-methyl-4-oxo-5-phenyl-1-pyrimidinyl)benzoic acid ethyl ester IUPAC Name: ethyl 2-(6-ethyl-2-methyl-4-oxo-5-phenylpyrimidin-1-yl)benzoate Traditional Name: 2-(6-ethyl-4-keto-2-methyl-5-phenyl-pyrimidin-1-yl)benzoic acid ethyl ester Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N=C(N1C2=CC=CC=C2C(=O)OCC)C)C3=CC=CC=C3

Isomeric SMILES

CCC1=C(C(=O)N=C(N1C2=CC=CC=C2C(=O)OCC)C)C3=CC=CC=C3

InChI

InChI=1S/C22H22N2O3/c1-4-18-20(16-11-7-6-8-12-16)21(25)23-15(3)24(18)19-14-10-9-13-17(19)22(26)27-5-2/h6-14H,4-5H2,1-3H3