[4-[3-(phenylmethoxycarbonylamino)propanoyl]piperazin-1-yl] 3,3-dimethylbutanoate

Systemtic Name: [4-[3-(phenylmethoxycarbonylamino)propanoyl]piperazin-1-yl] 3,3-dimethylbutanoate Openeye Name: [4-[3-(benzyloxycarbonylamino)propanoyl]piperazin-1-yl] 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic acid [4-[1-oxo-3-(phenylmethoxycarbonylamino)propyl]-1-piperazinyl] ester IUPAC Name: [4-[3-(phenylmethoxycarbonylamino)propanoyl]piperazin-1-yl] 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid [4-[3-(benzyloxycarbonylamino)propanoyl]piperazino] ester Formula: C21H31N3O5 MolecularWeight: 405.48794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)ON1CCN(CC1)C(=O)CCNC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)CC(=O)ON1CCN(CC1)C(=O)CCNC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H31N3O5/c1-21(2,3)15-19(26)29-24-13-11-23(12-14-24)18(25)9-10-22-20(27)28-16-17-7-5-4-6-8-17/h4-8H,9-16H2,1-3H3,(H,22,27)