ditert-butyl 4-[(2-oxidanylidene-4-phenylmethoxycarbonyl-piperazin-1-yl)methyl]piperidine-1,4-dicarboxylate

Systemtic Name: ditert-butyl 4-[(2-oxidanylidene-4-phenylmethoxycarbonyl-piperazin-1-yl)methyl]piperidine-1,4-dicarboxylate Openeye Name: ditert-butyl 4-[(4-benzyloxycarbonyl-2-oxo-piperazin-1-yl)methyl]piperidine-1,4-dicarboxylate CAS Name: 4-[(2-oxo-4-phenylmethoxycarbonyl-1-piperazinyl)methyl]piperidine-1,4-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 4-[(2-oxo-4-phenylmethoxycarbonylpiperazin-1-yl)methyl]piperidine-1,4-dicarboxylate Traditional Name: 4-[(4-carbobenzoxy-2-keto-piperazino)methyl]piperidine-1,4-dicarboxylic acid ditert-butyl ester Formula: C28H41N3O7 MolecularWeight: 531.64104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)CN2CCN(CC2=O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)CN2CCN(CC2=O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C28H41N3O7/c1-26(2,3)37-23(33)28(12-14-29(15-13-28)25(35)38-27(4,5)6)20-31-17-16-30(18-22(31)32)24(34)36-19-21-10-8-7-9-11-21/h7-11H,12-20H2,1-6H3