ditert-butyl 4-[[2-(phenylmethoxycarbonylamino)ethylamino]methyl]piperidine-1,4-dicarboxylate

Systemtic Name: ditert-butyl 4-[[2-(phenylmethoxycarbonylamino)ethylamino]methyl]piperidine-1,4-dicarboxylate Openeye Name: ditert-butyl 4-[[2-(benzyloxycarbonylamino)ethylamino]methyl]piperidine-1,4-dicarboxylate CAS Name: 4-[[2-(phenylmethoxycarbonylamino)ethylamino]methyl]piperidine-1,4-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 4-[[2-(phenylmethoxycarbonylamino)ethylamino]methyl]piperidine-1,4-dicarboxylate Traditional Name: 4-[[2-(benzyloxycarbonylamino)ethylamino]methyl]piperidine-1,4-dicarboxylic acid ditert-butyl ester Formula: C26H41N3O6 MolecularWeight: 491.62024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)CNCCNC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)CNCCNC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C26H41N3O6/c1-24(2,3)34-21(30)26(12-16-29(17-13-26)23(32)35-25(4,5)6)19-27-14-15-28-22(31)33-18-20-10-8-7-9-11-20/h7-11,27H,12-19H2,1-6H3,(H,28,31)