ethyl (E)-4-[6-(3-cyano-5-methyl-phenyl)carbonyl-2,4-bis(oxidanylidene)-5-propan-2-yl-pyrimidin-1-yl]but-2-enoate

Systemtic Name: ethyl (E)-4-[6-(3-cyano-5-methyl-phenyl)carbonyl-2,4-bis(oxidanylidene)-5-propan-2-yl-pyrimidin-1-yl]but-2-enoate Openeye Name: ethyl (E)-4-[6-(3-cyano-5-methyl-benzoyl)-5-isopropyl-2,4-dioxo-pyrimidin-1-yl]but-2-enoate CAS Name: (E)-4-[6-[(3-cyano-5-methylphenyl)-oxomethyl]-2,4-dioxo-5-propan-2-yl-1-pyrimidinyl]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[6-(3-cyano-5-methylbenzoyl)-2,4-dioxo-5-propan-2-ylpyrimidin-1-yl]but-2-enoate Traditional Name: (E)-4-[6-(3-cyano-5-methyl-benzoyl)-5-isopropyl-2,4-diketo-pyrimidin-1-yl]but-2-enoic acid ethyl ester Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CCN1C(=C(C(=O)NC1=O)C(C)C)C(=O)C2=CC(=CC(=C2)C#N)C

Isomeric SMILES

CCOC(=O)/C=C/CN1C(=C(C(=O)NC1=O)C(C)C)C(=O)C2=CC(=CC(=C2)C#N)C

InChI

InChI=1S/C22H23N3O5/c1-5-30-17(26)7-6-8-25-19(18(13(2)3)21(28)24-22(25)29)20(27)16-10-14(4)9-15(11-16)12-23/h6-7,9-11,13H,5,8H2,1-4H3,(H,24,28,29)/b7-6+