[(E)-4-[6-(3,5-dimethylphenyl)carbonyl-2,4-bis(oxidanylidene)-5-propan-2-yl-pyrimidin-1-yl]but-2-enyl] ethanoate

Systemtic Name: [(E)-4-[6-(3,5-dimethylphenyl)carbonyl-2,4-bis(oxidanylidene)-5-propan-2-yl-pyrimidin-1-yl]but-2-enyl] ethanoate Openeye Name: [(E)-4-[6-(3,5-dimethylbenzoyl)-5-isopropyl-2,4-dioxo-pyrimidin-1-yl]but-2-enyl] acetate CAS Name: acetic acid [(E)-4-[6-[(3,5-dimethylphenyl)-oxomethyl]-2,4-dioxo-5-propan-2-yl-1-pyrimidinyl]but-2-enyl] ester IUPAC Name: [(E)-4-[6-(3,5-dimethylbenzoyl)-2,4-dioxo-5-propan-2-ylpyrimidin-1-yl]but-2-enyl] acetate Traditional Name: acetic acid [(E)-4-[6-(3,5-dimethylbenzoyl)-5-isopropyl-2,4-diketo-pyrimidin-1-yl]but-2-enyl] ester Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)C2=C(C(=O)NC(=O)N2CC=CCOC(=O)C)C(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)C2=C(C(=O)NC(=O)N2C/C=C/COC(=O)C)C(C)C)C

InChI

InChI=1S/C22H26N2O5/c1-13(2)18-19(20(26)17-11-14(3)10-15(4)12-17)24(22(28)23-21(18)27)8-6-7-9-29-16(5)25/h6-7,10-13H,8-9H2,1-5H3,(H,23,27,28)/b7-6+