2-[[5-[(3-hydroxyphenyl)methyl]-4-methoxy-2-oxidanylidene-pyrimidin-1-yl]methoxy]ethyl benzoate

Systemtic Name: 2-[[5-[(3-hydroxyphenyl)methyl]-4-methoxy-2-oxidanylidene-pyrimidin-1-yl]methoxy]ethyl benzoate Openeye Name: 2-[[5-[(3-hydroxyphenyl)methyl]-4-methoxy-2-oxo-pyrimidin-1-yl]methoxy]ethyl benzoate CAS Name: benzoic acid 2-[[5-[(3-hydroxyphenyl)methyl]-4-methoxy-2-oxo-1-pyrimidinyl]methoxy]ethyl ester IUPAC Name: 2-[[5-[(3-hydroxyphenyl)methyl]-4-methoxy-2-oxopyrimidin-1-yl]methoxy]ethyl benzoate Traditional Name: benzoic acid 2-[[5-(3-hydroxybenzyl)-2-keto-4-methoxy-pyrimidin-1-yl]methoxy]ethyl ester Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=O)N(C=C1CC2=CC(=CC=C2)O)COCCOC(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=NC(=O)N(C=C1CC2=CC(=CC=C2)O)COCCOC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H22N2O6/c1-28-20-18(12-16-6-5-9-19(25)13-16)14-24(22(27)23-20)15-29-10-11-30-21(26)17-7-3-2-4-8-17/h2-9,13-14,25H,10-12,15H2,1H3