(2S)-1-[3-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]carbonylpyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[3-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]carbonylpyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[3-(3-hydroxy-3-methyl-but-1-ynyl)benzoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[[3-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[3-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[3-(3-hydroxy-3-methyl-but-1-ynyl)benzoyl]proline Formula: C17H19NO4 MolecularWeight: 301.33706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC(=CC=C1)C(=O)N2CCCC2C(=O)O)O

Isomeric SMILES

CC(C)(C#CC1=CC(=CC=C1)C(=O)N2CCC[C@H]2C(=O)O)O

InChI

InChI=1S/C17H19NO4/c1-17(2,22)9-8-12-5-3-6-13(11-12)15(19)18-10-4-7-14(18)16(20)21/h3,5-6,11,14,22H,4,7,10H2,1-2H3,(H,20,21)/t14-/m0/s1