(3S)-1-[2-(3,5-dimethylphenoxy)ethyl]-5-oxidanylidene-pyrrolidine-3-carboxylic acid

Systemtic Name: (3S)-1-[2-(3,5-dimethylphenoxy)ethyl]-5-oxidanylidene-pyrrolidine-3-carboxylic acid Openeye Name: (3S)-1-[2-(3,5-dimethylphenoxy)ethyl]-5-oxo-pyrrolidine-3-carboxylic acid CAS Name: (3S)-1-[2-(3,5-dimethylphenoxy)ethyl]-5-oxo-3-pyrrolidinecarboxylic acid IUPAC Name: (3S)-1-[2-(3,5-dimethylphenoxy)ethyl]-5-oxopyrrolidine-3-carboxylic acid Traditional Name: (3S)-1-[2-(3,5-dimethylphenoxy)ethyl]-5-keto-pyrrolidine-3-carboxylic acid Formula: C15H19NO4 MolecularWeight: 277.31566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCN2CC(CC2=O)C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCN2C[C@H](CC2=O)C(=O)O)C

InChI

InChI=1S/C15H19NO4/c1-10-5-11(2)7-13(6-10)20-4-3-16-9-12(15(18)19)8-14(16)17/h5-7,12H,3-4,8-9H2,1-2H3,(H,18,19)/t12-/m0/s1