methyl 2-(1,3-benzodioxol-5-ylmethyl)-4-chloranyl-6-(4-imidazol-1-ylphenoxy)pyrimidine-5-carboxylate

Systemtic Name: methyl 2-(1,3-benzodioxol-5-ylmethyl)-4-chloranyl-6-(4-imidazol-1-ylphenoxy)pyrimidine-5-carboxylate Openeye Name: methyl 2-(1,3-benzodioxol-5-ylmethyl)-4-chloro-6-(4-imidazol-1-ylphenoxy)pyrimidine-5-carboxylate CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-chloro-6-[4-(1-imidazolyl)phenoxy]-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxol-5-ylmethyl)-4-chloro-6-(4-imidazol-1-ylphenoxy)pyrimidine-5-carboxylate Traditional Name: 4-chloro-6-(4-imidazol-1-ylphenoxy)-2-piperonyl-pyrimidine-5-carboxylic acid methyl ester Formula: C23H17ClN4O5 MolecularWeight: 464.85788

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N=C(N=C1Cl)CC2=CC3=C(C=C2)OCO3)OC4=CC=C(C=C4)N5C=CN=C5

Isomeric SMILES

COC(=O)C1=C(N=C(N=C1Cl)CC2=CC3=C(C=C2)OCO3)OC4=CC=C(C=C4)N5C=CN=C5

InChI

InChI=1S/C23H17ClN4O5/c1-30-23(29)20-21(24)26-19(11-14-2-7-17-18(10-14)32-13-31-17)27-22(20)33-16-5-3-15(4-6-16)28-9-8-25-12-28/h2-10,12H,11,13H2,1H3