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

Systemtic Name: pentyl 3-[6-[(E)-2-(2-hydroxyphenyl)ethenyl]-2-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoate Openeye Name: pentyl 3-[6-[(E)-2-(2-hydroxyphenyl)vinyl]-2-methyl-4-oxo-1H-pyrimidin-5-yl]propanoate CAS Name: 3-[6-[(E)-2-(2-hydroxyphenyl)ethenyl]-2-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid pentyl ester IUPAC Name: pentyl 3-[6-[(E)-2-(2-hydroxyphenyl)ethenyl]-2-methyl-4-oxo-1H-pyrimidin-5-yl]propanoate Traditional Name: 3-[6-[(E)-2-(2-hydroxyphenyl)vinyl]-4-keto-2-methyl-1H-pyrimidin-5-yl]propionic acid amyl ester Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CCC1=C(NC(=NC1=O)C)C=CC2=CC=CC=C2O

Isomeric SMILES

CCCCCOC(=O)CCC1=C(NC(=NC1=O)C)/C=C/C2=CC=CC=C2O

InChI

InChI=1S/C21H26N2O4/c1-3-4-7-14-27-20(25)13-11-17-18(22-15(2)23-21(17)26)12-10-16-8-5-6-9-19(16)24/h5-6,8-10,12,24H,3-4,7,11,13-14H2,1-2H3,(H,22,23,26)/b12-10+