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

Systemtic Name: 3-methylbutyl 3-[2-methyl-4-oxidanylidene-6-[(E)-2-pyridin-3-ylethenyl]-1H-pyrimidin-5-yl]propanoate Openeye Name: isopentyl 3-[2-methyl-4-oxo-6-[(E)-2-(3-pyridyl)vinyl]-1H-pyrimidin-5-yl]propanoate CAS Name: 3-[2-methyl-4-oxo-6-[(E)-2-(3-pyridinyl)ethenyl]-1H-pyrimidin-5-yl]propanoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 3-[2-methyl-4-oxo-6-[(E)-2-pyridin-3-ylethenyl]-1H-pyrimidin-5-yl]propanoate Traditional Name: 3-[4-keto-2-methyl-6-[(E)-2-(3-pyridyl)vinyl]-1H-pyrimidin-5-yl]propionic acid isoamyl ester Formula: C20H25N3O3 MolecularWeight: 355.4308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3/c1-14(2)10-12-26-19(24)9-7-17-18(22-15(3)23-20(17)25)8-6-16-5-4-11-21-13-16/h4-6,8,11,13-14H,7,9-10,12H2,1-3H3,(H,22,23,25)/b8-6+