O4-tert-butyl O1-(phenylmethyl) 2-[4-methoxycarbonyl-1-methyl-6-oxidanylidene-5-(phenylcarbonyloxy)pyrimidin-2-yl]piperazine-1,4-dicarboxylate

Systemtic Name: O4-tert-butyl O1-(phenylmethyl) 2-[4-methoxycarbonyl-1-methyl-6-oxidanylidene-5-(phenylcarbonyloxy)pyrimidin-2-yl]piperazine-1,4-dicarboxylate Openeye Name: O1-benzyl O4-tert-butyl 2-(5-benzoyloxy-4-methoxycarbonyl-1-methyl-6-oxo-pyrimidin-2-yl)piperazine-1,4-dicarboxylate CAS Name: 2-(5-benzoyloxy-4-methoxycarbonyl-1-methyl-6-oxo-2-pyrimidinyl)piperazine-1,4-dicarboxylic acid O4-tert-butyl ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 4-O-tert-butyl 2-(5-benzoyloxy-4-methoxycarbonyl-1-methyl-6-oxopyrimidin-2-yl)piperazine-1,4-dicarboxylate Traditional Name: 2-(5-benzoyloxy-4-carbomethoxy-6-keto-1-methyl-pyrimidin-2-yl)piperazine-1,4-dicarboxylic acid O1-benzyl ester O4-tert-butyl ester Formula: C31H34N4O9 MolecularWeight: 606.62306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(C1)C2=NC(=C(C(=O)N2C)OC(=O)C3=CC=CC=C3)C(=O)OC)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C(C1)C2=NC(=C(C(=O)N2C)OC(=O)C3=CC=CC=C3)C(=O)OC)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C31H34N4O9/c1-31(2,3)44-29(39)34-16-17-35(30(40)42-19-20-12-8-6-9-13-20)22(18-34)25-32-23(28(38)41-5)24(26(36)33(25)4)43-27(37)21-14-10-7-11-15-21/h6-15,22H,16-19H2,1-5H3