tert-butyl (2R)-2-[(Z)-2-benzamido-1-bromanyl-3-methoxy-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2R)-2-[(Z)-2-benzamido-1-bromanyl-3-methoxy-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2R)-2-[(Z)-2-benzamido-1-bromo-3-methoxy-3-oxo-prop-1-enyl]pyrrolidine-1-carboxylate CAS Name: (2R)-2-[(Z)-2-benzamido-1-bromo-3-methoxy-3-oxoprop-1-enyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R)-2-[(Z)-2-benzamido-1-bromo-3-methoxy-3-oxoprop-1-enyl]pyrrolidine-1-carboxylate Traditional Name: (2R)-2-[(Z)-2-benzamido-1-bromo-3-keto-3-methoxy-prop-1-enyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C20H25BrN2O5 MolecularWeight: 453.3269

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=C(C(=O)OC)NC(=O)C2=CC=CC=C2)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@@H]1/C(=C(\C(=O)OC)/NC(=O)C2=CC=CC=C2)/Br

InChI

InChI=1S/C20H25BrN2O5/c1-20(2,3)28-19(26)23-12-8-11-14(23)15(21)16(18(25)27-4)22-17(24)13-9-6-5-7-10-13/h5-7,9-10,14H,8,11-12H2,1-4H3,(H,22,24)/b16-15-/t14-/m1/s1