(2S)-2-(4-fluorophenyl)-1,4-diazepane-1-carboxylic acid

Systemtic Name: (2S)-2-(4-fluorophenyl)-1,4-diazepane-1-carboxylic acid Openeye Name: (2S)-2-(4-fluorophenyl)-1,4-diazepane-1-carboxylic acid CAS Name: (2S)-2-(4-fluorophenyl)-1,4-diazepane-1-carboxylic acid IUPAC Name: (2S)-2-(4-fluorophenyl)-1,4-diazepane-1-carboxylic acid Traditional Name: (2S)-2-(4-fluorophenyl)-1,4-diazepane-1-carboxylic acid Formula: C12H15FN2O2 MolecularWeight: 238.258103

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC(N(C1)C(=O)O)C2=CC=C(C=C2)F

Isomeric SMILES

C1CNC[C@@H](N(C1)C(=O)O)C2=CC=C(C=C2)F

InChI

InChI=1S/C12H15FN2O2/c13-10-4-2-9(3-5-10)11-8-14-6-1-7-15(11)12(16)17/h2-5,11,14H,1,6-8H2,(H,16,17)/t11-/m1/s1