tert-butyl 4-[2-methoxy-2-oxidanylidene-1-(phenylmethoxycarbonylamino)ethylidene]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-methoxy-2-oxidanylidene-1-(phenylmethoxycarbonylamino)ethylidene]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[1-(benzyloxycarbonylamino)-2-methoxy-2-oxo-ethylidene]piperidine-1-carboxylate CAS Name: 4-[2-methoxy-2-oxo-1-(phenylmethoxycarbonylamino)ethylidene]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-methoxy-2-oxo-1-(phenylmethoxycarbonylamino)ethylidene]piperidine-1-carboxylate Traditional Name: 4-[1-(benzyloxycarbonylamino)-2-keto-2-methoxy-ethylidene]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H28N2O6 MolecularWeight: 404.45682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(=C(C(=O)OC)NC(=O)OCC2=CC=CC=C2)CC1

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(=C(C(=O)OC)NC(=O)OCC2=CC=CC=C2)CC1

InChI

InChI=1S/C21H28N2O6/c1-21(2,3)29-20(26)23-12-10-16(11-13-23)17(18(24)27-4)22-19(25)28-14-15-8-6-5-7-9-15/h5-9H,10-14H2,1-4H3,(H,22,25)