methyl 4-[(E)-2-(4-oxidanylidene-2-propan-2-yl-1H-pyrimidin-6-yl)ethenyl]benzoate

Systemtic Name: methyl 4-[(E)-2-(4-oxidanylidene-2-propan-2-yl-1H-pyrimidin-6-yl)ethenyl]benzoate Openeye Name: methyl 4-[(E)-2-(2-isopropyl-4-oxo-1H-pyrimidin-6-yl)vinyl]benzoate CAS Name: 4-[(E)-2-(4-oxo-2-propan-2-yl-1H-pyrimidin-6-yl)ethenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-2-(4-oxo-2-propan-2-yl-1H-pyrimidin-6-yl)ethenyl]benzoate Traditional Name: 4-[(E)-2-(2-isopropyl-4-keto-1H-pyrimidin-6-yl)vinyl]benzoic acid methyl ester Formula: C17H18N2O3 MolecularWeight: 298.33642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=O)C=C(N1)C=CC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(C)C1=NC(=O)C=C(N1)/C=C/C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C17H18N2O3/c1-11(2)16-18-14(10-15(20)19-16)9-6-12-4-7-13(8-5-12)17(21)22-3/h4-11H,1-3H3,(H,18,19,20)/b9-6+