4-(1,3-benzodioxol-5-yl)-6-[(2-methoxyphenyl)methoxy]-2-methyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-6-[(2-methoxyphenyl)methoxy]-2-methyl-pyrimidine-5-carboxylic acid Openeye Name: 4-(1,3-benzodioxol-5-yl)-6-[(2-methoxyphenyl)methoxy]-2-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-(1,3-benzodioxol-5-yl)-6-[(2-methoxyphenyl)methoxy]-2-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-(1,3-benzodioxol-5-yl)-6-[(2-methoxyphenyl)methoxy]-2-methylpyrimidine-5-carboxylic acid Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-methyl-6-o-anisyloxy-pyrimidine-5-carboxylic acid Formula: C21H18N2O6 MolecularWeight: 394.37742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=N1)OCC2=CC=CC=C2OC)C(=O)O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=NC(=C(C(=N1)OCC2=CC=CC=C2OC)C(=O)O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H18N2O6/c1-12-22-19(13-7-8-16-17(9-13)29-11-28-16)18(21(24)25)20(23-12)27-10-14-5-3-4-6-15(14)26-2/h3-9H,10-11H2,1-2H3,(H,24,25)