(2S,4R)-4-oxidanyl-1-(2,4,6-trimethylphenyl)carbonyl-pyrrolidine-2-carboxylate

Systemtic Name: (2S,4R)-4-oxidanyl-1-(2,4,6-trimethylphenyl)carbonyl-pyrrolidine-2-carboxylate Openeye Name: (2S,4R)-4-hydroxy-1-(2,4,6-trimethylbenzoyl)pyrrolidine-2-carboxylate CAS Name: (2S,4R)-4-hydroxy-1-[oxo-(2,4,6-trimethylphenyl)methyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S,4R)-4-hydroxy-1-(2,4,6-trimethylbenzoyl)pyrrolidine-2-carboxylate Traditional Name: (2S,4R)-4-hydroxy-1-(2,4,6-trimethylbenzoyl)pyrrolidine-2-carboxylate Formula: C15H18NO4- MolecularWeight: 276.30772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)N2CC(CC2C(=O)[O-])O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)N2C[C@@H](C[C@H]2C(=O)[O-])O)C

InChI

InChI=1S/C15H19NO4/c1-8-4-9(2)13(10(3)5-8)14(18)16-7-11(17)6-12(16)15(19)20/h4-5,11-12,17H,6-7H2,1-3H3,(H,19,20)/p-1/t11-,12+/m1/s1