(2S)-1-(3,5-dimethylphenyl)carbonylpyrrolidine-2-carboxylate

Systemtic Name: (2S)-1-(3,5-dimethylphenyl)carbonylpyrrolidine-2-carboxylate Openeye Name: (2S)-1-(3,5-dimethylbenzoyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(3,5-dimethylphenyl)-oxomethyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-(3,5-dimethylbenzoyl)pyrrolidine-2-carboxylate Traditional Name: (2S)-1-(3,5-dimethylbenzoyl)pyrrolidine-2-carboxylate Formula: C14H16NO3- MolecularWeight: 246.28174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N2CCCC2C(=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO3/c1-9-6-10(2)8-11(7-9)13(16)15-5-3-4-12(15)14(17)18/h6-8,12H,3-5H2,1-2H3,(H,17,18)/p-1/t12-/m0/s1