sodium (2R,3S)-3-carboxy-1-[4-(4-fluorophenyl)phenyl]carbonyl-piperazine-2-carboxylate

Systemtic Name: sodium (2R,3S)-3-carboxy-1-[4-(4-fluorophenyl)phenyl]carbonyl-piperazine-2-carboxylate Openeye Name: sodium (2R,3S)-3-carboxy-1-[4-(4-fluorophenyl)benzoyl]piperazine-2-carboxylate CAS Name: sodium (2R,3S)-3-carboxy-1-[[4-(4-fluorophenyl)phenyl]-oxomethyl]-2-piperazinecarboxylate IUPAC Name: sodium (2R,3S)-3-carboxy-1-[4-(4-fluorophenyl)benzoyl]piperazine-2-carboxylate Traditional Name: sodium (2R,3S)-3-carboxy-1-[4-(4-fluorophenyl)benzoyl]piperazine-2-carboxylate Formula: C19H16FN2NaO5 MolecularWeight: 394.328913

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(N1)C(=O)O)C(=O)[O-])C(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)F.[Na+]

Isomeric SMILES

C1CN([C@H]([C@H](N1)C(=O)O)C(=O)[O-])C(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)F.[Na+]

InChI

InChI=1S/C19H17FN2O5.Na/c20-14-7-5-12(6-8-14)11-1-3-13(4-2-11)17(23)22-10-9-21-15(18(24)25)16(22)19(26)27;/h1-8,15-16,21H,9-10H2,(H,24,25)(H,26,27);/q;+1/p-1/t15-,16+;/m0./s1