1-[(2S)-2-(chloromethyl)-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(2S)-2-(chloromethyl)-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(2S)-2-benzyl-3-chloro-propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(2S)-2-(chloromethyl)-1-oxo-3-phenylpropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(2S)-2-benzyl-3-chloropropanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(2S)-2-benzyl-3-chloro-propanoyl]proline Formula: C15H18ClNO3 MolecularWeight: 295.76132

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)CCl)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)[C@H](CC2=CC=CC=C2)CCl)C(=O)O

InChI

InChI=1S/C15H18ClNO3/c16-10-12(9-11-5-2-1-3-6-11)14(18)17-8-4-7-13(17)15(19)20/h1-3,5-6,12-13H,4,7-10H2,(H,19,20)/t12-,13?/m1/s1