(2S)-1-[4-[2-(1-oxidanylcyclohexyl)ethynyl]phenyl]carbonylpyrrolidine-2-carboxylate

Systemtic Name: (2S)-1-[4-[2-(1-oxidanylcyclohexyl)ethynyl]phenyl]carbonylpyrrolidine-2-carboxylate Openeye Name: (2S)-1-[4-[2-(1-hydroxycyclohexyl)ethynyl]benzoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[[4-[2-(1-hydroxycyclohexyl)ethynyl]phenyl]-oxomethyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-[4-[2-(1-hydroxycyclohexyl)ethynyl]benzoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[4-[2-(1-hydroxycyclohexyl)ethynyl]benzoyl]pyrrolidine-2-carboxylate Formula: C20H22NO4- MolecularWeight: 340.39298

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#CC2=CC=C(C=C2)C(=O)N3CCCC3C(=O)[O-])O

Isomeric SMILES

C1CCC(CC1)(C#CC2=CC=C(C=C2)C(=O)N3CCC[C@H]3C(=O)[O-])O

InChI

InChI=1S/C20H23NO4/c22-18(21-14-4-5-17(21)19(23)24)16-8-6-15(7-9-16)10-13-20(25)11-2-1-3-12-20/h6-9,17,25H,1-5,11-12,14H2,(H,23,24)/p-1/t17-/m0/s1