(2-cyanophenyl)methyl 3-(2,6-dimethyl-4-oxidanylidene-1H-pyrimidin-5-yl)propanoate

Systemtic Name: (2-cyanophenyl)methyl 3-(2,6-dimethyl-4-oxidanylidene-1H-pyrimidin-5-yl)propanoate Openeye Name: (2-cyanophenyl)methyl 3-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)propanoate CAS Name: 3-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)propanoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 3-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)propanoate Traditional Name: 3-(4-keto-2,6-dimethyl-1H-pyrimidin-5-yl)propionic acid (2-cyanobenzyl) ester Formula: C17H17N3O3 MolecularWeight: 311.33518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)C)CCC(=O)OCC2=CC=CC=C2C#N

Isomeric SMILES

CC1=C(C(=O)N=C(N1)C)CCC(=O)OCC2=CC=CC=C2C#N

InChI

InChI=1S/C17H17N3O3/c1-11-15(17(22)20-12(2)19-11)7-8-16(21)23-10-14-6-4-3-5-13(14)9-18/h3-6H,7-8,10H2,1-2H3,(H,19,20,22)