tert-butyl (3S)-3-[2-[methyl-[(4-nitrophenyl)methoxycarbonyl]amino]ethyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (3S)-3-[2-[methyl-[(4-nitrophenyl)methoxycarbonyl]amino]ethyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (3S)-3-[2-[methyl-[(4-nitrophenyl)methoxycarbonyl]amino]ethyl]pyrrolidine-1-carboxylate CAS Name: (3S)-3-[2-[methyl-[(4-nitrophenyl)methoxy-oxomethyl]amino]ethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[2-[methyl-[(4-nitrophenyl)methoxycarbonyl]amino]ethyl]pyrrolidine-1-carboxylate Traditional Name: (3S)-3-[2-[methyl-(4-nitrobenzyl)oxycarbonyl-amino]ethyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C20H29N3O6 MolecularWeight: 407.46076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C1)CCN(C)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[C@@H](C1)CCN(C)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H29N3O6/c1-20(2,3)29-19(25)22-12-10-15(13-22)9-11-21(4)18(24)28-14-16-5-7-17(8-6-16)23(26)27/h5-8,15H,9-14H2,1-4H3/t15-/m0/s1