(2S)-1-[2-oxidanylidene-2-(3,4,5-trimethylphenyl)ethanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[2-oxidanylidene-2-(3,4,5-trimethylphenyl)ethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[2-oxo-2-(3,4,5-trimethylphenyl)acetyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[1,2-dioxo-2-(3,4,5-trimethylphenyl)ethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[2-oxo-2-(3,4,5-trimethylphenyl)acetyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[2-keto-2-(3,4,5-trimethylphenyl)acetyl]proline Formula: C16H19NO4 MolecularWeight: 289.32636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)C)C(=O)C(=O)N2CCCC2C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1C)C)C(=O)C(=O)N2CCC[C@H]2C(=O)O

InChI

InChI=1S/C16H19NO4/c1-9-7-12(8-10(2)11(9)3)14(18)15(19)17-6-4-5-13(17)16(20)21/h7-8,13H,4-6H2,1-3H3,(H,20,21)/t13-/m0/s1