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

Systemtic Name: 3-methylbutyl 3-[2-methyl-4-oxidanylidene-6-[(E)-2-pyridin-4-ylethenyl]-1H-pyrimidin-5-yl]propanoate Openeye Name: isopentyl 3-[2-methyl-4-oxo-6-[(E)-2-(4-pyridyl)vinyl]-1H-pyrimidin-5-yl]propanoate CAS Name: 3-[2-methyl-4-oxo-6-[(E)-2-pyridin-4-ylethenyl]-1H-pyrimidin-5-yl]propanoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 3-[2-methyl-4-oxo-6-[(E)-2-pyridin-4-ylethenyl]-1H-pyrimidin-5-yl]propanoate Traditional Name: 3-[4-keto-2-methyl-6-[(E)-2-(4-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=CC=NC=C2)CCC(=O)OCCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3/c1-14(2)10-13-26-19(24)7-5-17-18(22-15(3)23-20(17)25)6-4-16-8-11-21-12-9-16/h4,6,8-9,11-12,14H,5,7,10,13H2,1-3H3,(H,22,23,25)/b6-4+