(3S)-2-oxidanylidene-1-[2-(2,4,6-trimethylphenoxy)ethyl]pyrrolidine-3-carboxylic acid

Systemtic Name: (3S)-2-oxidanylidene-1-[2-(2,4,6-trimethylphenoxy)ethyl]pyrrolidine-3-carboxylic acid Openeye Name: (3S)-2-oxo-1-[2-(2,4,6-trimethylphenoxy)ethyl]pyrrolidine-3-carboxylic acid CAS Name: (3S)-2-oxo-1-[2-(2,4,6-trimethylphenoxy)ethyl]-3-pyrrolidinecarboxylic acid IUPAC Name: (3S)-2-oxo-1-[2-(2,4,6-trimethylphenoxy)ethyl]pyrrolidine-3-carboxylic acid Traditional Name: (3S)-2-keto-1-[2-(2,4,6-trimethylphenoxy)ethyl]pyrrolidine-3-carboxylic acid Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)OCCN2CCC(C2=O)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)OCCN2CC[C@@H](C2=O)C(=O)O)C

InChI

InChI=1S/C16H21NO4/c1-10-8-11(2)14(12(3)9-10)21-7-6-17-5-4-13(15(17)18)16(19)20/h8-9,13H,4-7H2,1-3H3,(H,19,20)/t13-/m0/s1