(2S)-1-(3-bromanyl-4-methoxy-phenyl)carbonylpyrrolidine-2-carboxylate

Systemtic Name: (2S)-1-(3-bromanyl-4-methoxy-phenyl)carbonylpyrrolidine-2-carboxylate Openeye Name: (2S)-1-(3-bromo-4-methoxy-benzoyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(3-bromo-4-methoxyphenyl)-oxomethyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-(3-bromo-4-methoxybenzoyl)pyrrolidine-2-carboxylate Traditional Name: (2S)-1-(3-bromo-4-methoxy-benzoyl)pyrrolidine-2-carboxylate Formula: C13H13BrNO4- MolecularWeight: 327.15062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCCC2C(=O)[O-])Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCC[C@H]2C(=O)[O-])Br

InChI

InChI=1S/C13H14BrNO4/c1-19-11-5-4-8(7-9(11)14)12(16)15-6-2-3-10(15)13(17)18/h4-5,7,10H,2-3,6H2,1H3,(H,17,18)/p-1/t10-/m0/s1