(2S)-1-(2-bromanyl-5-methoxy-phenyl)carbonylpyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-(2-bromanyl-5-methoxy-phenyl)carbonylpyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-(2-bromo-5-methoxy-benzoyl)pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(2-bromo-5-methoxyphenyl)-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-(2-bromo-5-methoxybenzoyl)pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-(2-bromo-5-methoxy-benzoyl)proline Formula: C13H14BrNO4 MolecularWeight: 328.15856

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C(=O)N2CCCC2C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C13H14BrNO4/c1-19-8-4-5-10(14)9(7-8)12(16)15-6-2-3-11(15)13(17)18/h4-5,7,11H,2-3,6H2,1H3,(H,17,18)/t11-/m0/s1