methyl 4-[2,4-bis(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidin-5-yl]benzoate

Systemtic Name: methyl 4-[2,4-bis(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidin-5-yl]benzoate Openeye Name: methyl 4-[2,4-bis(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidin-5-yl]benzoate CAS Name: 4-[2,4-bis(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-pyrimidinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2,4-bis(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidin-5-yl]benzoate Traditional Name: 4-[2,4-bis(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidin-5-yl]benzoic acid methyl ester Formula: C28H24N4O6 MolecularWeight: 512.51336

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CN=C(N=C2NC3=CC4=C(C=C3)OCCO4)NC5=CC6=C(C=C5)OCCO6

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CN=C(N=C2NC3=CC4=C(C=C3)OCCO4)NC5=CC6=C(C=C5)OCCO6

InChI

InChI=1S/C28H24N4O6/c1-34-27(33)18-4-2-17(3-5-18)21-16-29-28(31-20-7-9-23-25(15-20)38-13-11-36-23)32-26(21)30-19-6-8-22-24(14-19)37-12-10-35-22/h2-9,14-16H,10-13H2,1H3,(H2,29,30,31,32)