methyl 2-[2-(1,3-benzodioxol-5-ylmethyl)-4-chloranyl-6-(4-imidazol-1-ylphenoxy)pyrimidin-5-yl]ethanoate

Systemtic Name: methyl 2-[2-(1,3-benzodioxol-5-ylmethyl)-4-chloranyl-6-(4-imidazol-1-ylphenoxy)pyrimidin-5-yl]ethanoate Openeye Name: methyl 2-[2-(1,3-benzodioxol-5-ylmethyl)-4-chloro-6-(4-imidazol-1-ylphenoxy)pyrimidin-5-yl]acetate CAS Name: 2-[2-(1,3-benzodioxol-5-ylmethyl)-4-chloro-6-[4-(1-imidazolyl)phenoxy]-5-pyrimidinyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(1,3-benzodioxol-5-ylmethyl)-4-chloro-6-(4-imidazol-1-ylphenoxy)pyrimidin-5-yl]acetate Traditional Name: 2-[4-chloro-6-(4-imidazol-1-ylphenoxy)-2-piperonyl-pyrimidin-5-yl]acetic acid methyl ester Formula: C24H19ClN4O5 MolecularWeight: 478.88446

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C(N=C(N=C1Cl)CC2=CC3=C(C=C2)OCO3)OC4=CC=C(C=C4)N5C=CN=C5

Isomeric SMILES

COC(=O)CC1=C(N=C(N=C1Cl)CC2=CC3=C(C=C2)OCO3)OC4=CC=C(C=C4)N5C=CN=C5

InChI

InChI=1S/C24H19ClN4O5/c1-31-22(30)12-18-23(25)27-21(11-15-2-7-19-20(10-15)33-14-32-19)28-24(18)34-17-5-3-16(4-6-17)29-9-8-26-13-29/h2-10,13H,11-12,14H2,1H3