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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C(=C(N1)C=CC2=CC=C(C=C2)O)CCC(=O)OCCC(C)C

Isomeric SMILES

CC1=NC(=O)C(=C(N1)/C=C/C2=CC=C(C=C2)O)CCC(=O)OCCC(C)C

InChI

InChI=1S/C21H26N2O4/c1-14(2)12-13-27-20(25)11-9-18-19(22-15(3)23-21(18)26)10-6-16-4-7-17(24)8-5-16/h4-8,10,14,24H,9,11-13H2,1-3H3,(H,22,23,26)/b10-6+