methyl 2-[2-(1,3-benzodioxol-5-ylmethyl)-4-(4-imidazol-1-ylphenoxy)pyrimidin-5-yl]ethanoate

Systemtic Name: methyl 2-[2-(1,3-benzodioxol-5-ylmethyl)-4-(4-imidazol-1-ylphenoxy)pyrimidin-5-yl]ethanoate Openeye Name: methyl 2-[2-(1,3-benzodioxol-5-ylmethyl)-4-(4-imidazol-1-ylphenoxy)pyrimidin-5-yl]acetate CAS Name: 2-[2-(1,3-benzodioxol-5-ylmethyl)-4-[4-(1-imidazolyl)phenoxy]-5-pyrimidinyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(1,3-benzodioxol-5-ylmethyl)-4-(4-imidazol-1-ylphenoxy)pyrimidin-5-yl]acetate Traditional Name: 2-[4-(4-imidazol-1-ylphenoxy)-2-piperonyl-pyrimidin-5-yl]acetic acid methyl ester Formula: C24H20N4O5 MolecularWeight: 444.4394

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CN=C(N=C1OC2=CC=C(C=C2)N3C=CN=C3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC(=O)CC1=CN=C(N=C1OC2=CC=C(C=C2)N3C=CN=C3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H20N4O5/c1-30-23(29)12-17-13-26-22(11-16-2-7-20-21(10-16)32-15-31-20)27-24(17)33-19-5-3-18(4-6-19)28-9-8-25-14-28/h2-10,13-14H,11-12,15H2,1H3