O3-tert-butyl O1-ethyl 4-(4-pyridin-4-ylphenyl)carbonylpiperazine-1,3-dicarboxylate

Systemtic Name: O3-tert-butyl O1-ethyl 4-(4-pyridin-4-ylphenyl)carbonylpiperazine-1,3-dicarboxylate Openeye Name: O3-tert-butyl O1-ethyl 4-[4-(4-pyridyl)benzoyl]piperazine-1,3-dicarboxylate CAS Name: 4-[oxo-(4-pyridin-4-ylphenyl)methyl]piperazine-1,3-dicarboxylic acid O3-tert-butyl ester O1-ethyl ester IUPAC Name: 3-O-tert-butyl 1-O-ethyl 4-(4-pyridin-4-ylbenzoyl)piperazine-1,3-dicarboxylate Traditional Name: 4-[4-(4-pyridyl)benzoyl]piperazine-1,3-dicarboxylic acid O3-tert-butyl ester O1-ethyl ester Formula: C24H29N3O5 MolecularWeight: 439.50416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(C(C1)C(=O)OC(C)(C)C)C(=O)C2=CC=C(C=C2)C3=CC=NC=C3

Isomeric SMILES

CCOC(=O)N1CCN(C(C1)C(=O)OC(C)(C)C)C(=O)C2=CC=C(C=C2)C3=CC=NC=C3

InChI

InChI=1S/C24H29N3O5/c1-5-31-23(30)26-14-15-27(20(16-26)22(29)32-24(2,3)4)21(28)19-8-6-17(7-9-19)18-10-12-25-13-11-18/h6-13,20H,5,14-16H2,1-4H3