[(2Z)-4-(4-acetamido-2-oxidanylidene-pyrimidin-1-yl)-2-(fluoranylmethylidene)butyl] benzoate

Systemtic Name: [(2Z)-4-(4-acetamido-2-oxidanylidene-pyrimidin-1-yl)-2-(fluoranylmethylidene)butyl] benzoate Openeye Name: [(2Z)-4-(4-acetamido-2-oxo-pyrimidin-1-yl)-2-(fluoromethylene)butyl] benzoate CAS Name: benzoic acid [(2Z)-4-(4-acetamido-2-oxo-1-pyrimidinyl)-2-(fluoromethylidene)butyl] ester IUPAC Name: [(2Z)-4-(4-acetamido-2-oxopyrimidin-1-yl)-2-(fluoromethylidene)butyl] benzoate Traditional Name: benzoic acid [(Z)-2-[2-(4-acetamido-2-keto-pyrimidin-1-yl)ethyl]-3-fluoro-allyl] ester Formula: C18H18FN3O4 MolecularWeight: 359.351623

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=O)N(C=C1)CCC(=CF)COC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(=O)NC1=NC(=O)N(C=C1)CC/C(=C/F)/COC(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H18FN3O4/c1-13(23)20-16-8-10-22(18(25)21-16)9-7-14(11-19)12-26-17(24)15-5-3-2-4-6-15/h2-6,8,10-11H,7,9,12H2,1H3,(H,20,21,23,25)/b14-11-