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

Systemtic Name: 3-methylbutyl 3-[6-[(E)-2-(4-chlorophenyl)prop-1-enyl]-2-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoate Openeye Name: isopentyl 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 3-methylbutyl ester IUPAC Name: 3-methylbutyl 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 isoamyl ester Formula: C22H27ClN2O3 MolecularWeight: 402.91438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN2O3/c1-14(2)11-12-28-21(26)10-9-19-20(24-16(4)25-22(19)27)13-15(3)17-5-7-18(23)8-6-17/h5-8,13-14H,9-12H2,1-4H3,(H,24,25,27)/b15-13+