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

Systemtic Name: bis[3-[3-methyl-2,4-bis(oxidanylidene)-5-(phenylmethoxycarbonylcarbamoyl)pyrimidin-1-yl]propyl] decanedioate Openeye Name: bis[3-[5-(benzyloxycarbonylcarbamoyl)-3-methyl-2,4-dioxo-pyrimidin-1-yl]propyl] decanedioate CAS Name: decanedioic acid bis[3-[3-methyl-2,4-dioxo-5-[oxo(phenylmethoxycarbonylamino)methyl]-1-pyrimidinyl]propyl] ester IUPAC Name: bis[3-[3-methyl-2,4-dioxo-5-(phenylmethoxycarbonylcarbamoyl)pyrimidin-1-yl]propyl] decanedioate Traditional Name: sebacic acid bis[3-[5-(carbobenzoxycarbamoyl)-2,4-diketo-3-methyl-pyrimidin-1-yl]propyl] ester Formula: C44H52N6O14 MolecularWeight: 888.91548

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CN(C1=O)CCCOC(=O)CCCCCCCCC(=O)OCCCN2C=C(C(=O)N(C2=O)C)C(=O)NC(=O)OCC3=CC=CC=C3)C(=O)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CN1C(=O)C(=CN(C1=O)CCCOC(=O)CCCCCCCCC(=O)OCCCN2C=C(C(=O)N(C2=O)C)C(=O)NC(=O)OCC3=CC=CC=C3)C(=O)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C44H52N6O14/c1-47-39(55)33(37(53)45-41(57)63-29-31-17-9-7-10-18-31)27-49(43(47)59)23-15-25-61-35(51)21-13-5-3-4-6-14-22-36(52)62-26-16-24-50-28-34(40(56)48(2)44(50)60)38(54)46-42(58)64-30-32-19-11-8-12-20-32/h7-12,17-20,27-28H,3-6,13-16,21-26,29-30H2,1-2H3,(H,45,53,57)(H,46,54,58)