butyl 3-[6-[(E)-2-(4-chlorophenyl)prop-1-enyl]-2-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoate

Systemtic Name: butyl 3-[6-[(E)-2-(4-chlorophenyl)prop-1-enyl]-2-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoate Openeye Name: butyl 3-[6-[(E)-2-(4-chlorophenyl)prop-1-enyl]-2-methyl-4-oxo-1H-pyrimidin-5-yl]propanoate CAS Name: 3-[6-[(E)-2-(4-chlorophenyl)prop-1-enyl]-2-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid butyl ester IUPAC Name: butyl 3-[6-[(E)-2-(4-chlorophenyl)prop-1-enyl]-2-methyl-4-oxo-1H-pyrimidin-5-yl]propanoate Traditional Name: 3-[6-[(E)-2-(4-chlorophenyl)prop-1-enyl]-4-keto-2-methyl-1H-pyrimidin-5-yl]propionic acid butyl ester Formula: C21H25ClN2O3 MolecularWeight: 388.8878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CCC1=C(NC(=NC1=O)C)C=C(C)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCOC(=O)CCC1=C(NC(=NC1=O)C)/C=C(\C)/C2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H25ClN2O3/c1-4-5-12-27-20(25)11-10-18-19(23-15(3)24-21(18)26)13-14(2)16-6-8-17(22)9-7-16/h6-9,13H,4-5,10-12H2,1-3H3,(H,23,24,26)/b14-13+