ditert-butyl 2-[4-(3-imidazol-1-ylpropyl)piperidin-1-yl]carbonylpiperazine-1,4-dicarboxylate

Systemtic Name: ditert-butyl 2-[4-(3-imidazol-1-ylpropyl)piperidin-1-yl]carbonylpiperazine-1,4-dicarboxylate Openeye Name: ditert-butyl 2-[4-(3-imidazol-1-ylpropyl)piperidine-1-carbonyl]piperazine-1,4-dicarboxylate CAS Name: 2-[[4-[3-(1-imidazolyl)propyl]-1-piperidinyl]-oxomethyl]piperazine-1,4-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[4-(3-imidazol-1-ylpropyl)piperidine-1-carbonyl]piperazine-1,4-dicarboxylate Traditional Name: 2-[4-(3-imidazol-1-ylpropyl)piperidine-1-carbonyl]piperazine-1,4-dicarboxylic acid ditert-butyl ester Formula: C26H43N5O5 MolecularWeight: 505.65012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(C1)C(=O)N2CCC(CC2)CCCN3C=CN=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C(C1)C(=O)N2CCC(CC2)CCCN3C=CN=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H43N5O5/c1-25(2,3)35-23(33)30-16-17-31(24(34)36-26(4,5)6)21(18-30)22(32)29-13-9-20(10-14-29)8-7-12-28-15-11-27-19-28/h11,15,19-21H,7-10,12-14,16-18H2,1-6H3