methyl 2-(1,3-benzodioxol-5-ylmethyl)-4-(4-imidazol-1-ylphenoxy)pyrimidine-5-carboxylate

Systemtic Name: methyl 2-(1,3-benzodioxol-5-ylmethyl)-4-(4-imidazol-1-ylphenoxy)pyrimidine-5-carboxylate Openeye Name: methyl 2-(1,3-benzodioxol-5-ylmethyl)-4-(4-imidazol-1-ylphenoxy)pyrimidine-5-carboxylate CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[4-(1-imidazolyl)phenoxy]-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxol-5-ylmethyl)-4-(4-imidazol-1-ylphenoxy)pyrimidine-5-carboxylate Traditional Name: 4-(4-imidazol-1-ylphenoxy)-2-piperonyl-pyrimidine-5-carboxylic acid methyl ester Formula: C23H18N4O5 MolecularWeight: 430.41282

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(N=C1OC2=CC=C(C=C2)N3C=CN=C3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC(=O)C1=CN=C(N=C1OC2=CC=C(C=C2)N3C=CN=C3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H18N4O5/c1-29-23(28)18-12-25-21(11-15-2-7-19-20(10-15)31-14-30-19)26-22(18)32-17-5-3-16(4-6-17)27-9-8-24-13-27/h2-10,12-13H,11,14H2,1H3