(2S)-1-[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]carbonylpyrrolidine-2-carboxylate

Systemtic Name: (2S)-1-[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]carbonylpyrrolidine-2-carboxylate Openeye Name: (2S)-1-[4-(3-hydroxy-3-methyl-but-1-ynyl)benzoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-oxomethyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-[4-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[4-(3-hydroxy-3-methyl-but-1-ynyl)benzoyl]pyrrolidine-2-carboxylate Formula: C17H18NO4- MolecularWeight: 300.32912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO4/c1-17(2,22)10-9-12-5-7-13(8-6-12)15(19)18-11-3-4-14(18)16(20)21/h5-8,14,22H,3-4,11H2,1-2H3,(H,20,21)/p-1/t14-/m0/s1