pentyl 3-[2-methyl-4-oxidanylidene-6-[(E)-2-phenylprop-1-enyl]-1H-pyrimidin-5-yl]propanoate

Systemtic Name: pentyl 3-[2-methyl-4-oxidanylidene-6-[(E)-2-phenylprop-1-enyl]-1H-pyrimidin-5-yl]propanoate Openeye Name: pentyl 3-[2-methyl-4-oxo-6-[(E)-2-phenylprop-1-enyl]-1H-pyrimidin-5-yl]propanoate CAS Name: 3-[2-methyl-4-oxo-6-[(E)-2-phenylprop-1-enyl]-1H-pyrimidin-5-yl]propanoic acid pentyl ester IUPAC Name: pentyl 3-[2-methyl-4-oxo-6-[(E)-2-phenylprop-1-enyl]-1H-pyrimidin-5-yl]propanoate Traditional Name: 3-[4-keto-2-methyl-6-[(E)-2-phenylprop-1-enyl]-1H-pyrimidin-5-yl]propionic acid amyl ester Formula: C22H28N2O3 MolecularWeight: 368.46932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CCC1=C(NC(=NC1=O)C)C=C(C)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O3/c1-4-5-9-14-27-21(25)13-12-19-20(23-17(3)24-22(19)26)15-16(2)18-10-7-6-8-11-18/h6-8,10-11,15H,4-5,9,12-14H2,1-3H3,(H,23,24,26)/b16-15+