bis[3-[2,4-bis(oxidanylidene)-5-(phenylmethoxycarbonylcarbamoyl)pyrimidin-1-yl]propyl] decanedioate

Systemtic Name: bis[3-[2,4-bis(oxidanylidene)-5-(phenylmethoxycarbonylcarbamoyl)pyrimidin-1-yl]propyl] decanedioate Openeye Name: bis[3-[5-(benzyloxycarbonylcarbamoyl)-2,4-dioxo-pyrimidin-1-yl]propyl] decanedioate CAS Name: decanedioic acid bis[3-[2,4-dioxo-5-[oxo(phenylmethoxycarbonylamino)methyl]-1-pyrimidinyl]propyl] ester IUPAC Name: bis[3-[2,4-dioxo-5-(phenylmethoxycarbonylcarbamoyl)pyrimidin-1-yl]propyl] decanedioate Traditional Name: sebacic acid bis[3-[5-(carbobenzoxycarbamoyl)-2,4-diketo-pyrimidin-1-yl]propyl] ester Formula: C42H48N6O14 MolecularWeight: 860.86232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(=O)C2=CN(C(=O)NC2=O)CCCOC(=O)CCCCCCCCC(=O)OCCCN3C=C(C(=O)NC3=O)C(=O)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(=O)C2=CN(C(=O)NC2=O)CCCOC(=O)CCCCCCCCC(=O)OCCCN3C=C(C(=O)NC3=O)C(=O)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C42H48N6O14/c49-33(59-23-13-21-47-25-31(35(51)43-39(47)55)37(53)45-41(57)61-27-29-15-7-5-8-16-29)19-11-3-1-2-4-12-20-34(50)60-24-14-22-48-26-32(36(52)44-40(48)56)38(54)46-42(58)62-28-30-17-9-6-10-18-30/h5-10,15-18,25-26H,1-4,11-14,19-24,27-28H2,(H,43,51,55)(H,44,52,56)(H,45,53,57)(H,46,54,58)