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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN(CCN1C(=O)C2=CC=C(C=C2)C3=CN=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C1CN(CCN1C(=O)C2=CC=C(C=C2)C3=CN=CC=C3)C(=O)OC(C)(C)C

InChI

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