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

Systemtic Name: tert-butyl 4-[3-methoxy-3-oxidanylidene-2-(phenylmethoxycarbonylamino)propyl]imidazole-1-carboxylate Openeye Name: tert-butyl 4-[2-(benzyloxycarbonylamino)-3-methoxy-3-oxo-propyl]imidazole-1-carboxylate CAS Name: 4-[3-methoxy-3-oxo-2-(phenylmethoxycarbonylamino)propyl]-1-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-methoxy-3-oxo-2-(phenylmethoxycarbonylamino)propyl]imidazole-1-carboxylate Traditional Name: 4-[2-(benzyloxycarbonylamino)-3-keto-3-methoxy-propyl]imidazole-1-carboxylic acid tert-butyl ester Formula: C20H25N3O6 MolecularWeight: 403.429

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(N=C1)CC(C(=O)OC)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(N=C1)CC(C(=O)OC)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H25N3O6/c1-20(2,3)29-19(26)23-11-15(21-13-23)10-16(17(24)27-4)22-18(25)28-12-14-8-6-5-7-9-14/h5-9,11,13,16H,10,12H2,1-4H3,(H,22,25)