tert-butyl 4-[3-methoxy-3-oxidanylidene-2-(phenylmethoxycarbonylamino)propyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-methoxy-3-oxidanylidene-2-(phenylmethoxycarbonylamino)propyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(benzyloxycarbonylamino)-3-methoxy-3-oxo-propyl]piperazine-1-carboxylate CAS Name: 4-[3-methoxy-3-oxo-2-(phenylmethoxycarbonylamino)propyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-methoxy-3-oxo-2-(phenylmethoxycarbonylamino)propyl]piperazine-1-carboxylate Traditional Name: 4-[2-(benzyloxycarbonylamino)-3-keto-3-methoxy-propyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H31N3O6 MolecularWeight: 421.48734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CC(C(=O)OC)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CC(C(=O)OC)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H31N3O6/c1-21(2,3)30-20(27)24-12-10-23(11-13-24)14-17(18(25)28-4)22-19(26)29-15-16-8-6-5-7-9-16/h5-9,17H,10-15H2,1-4H3,(H,22,26)