(2S)-2-[6-(3-cyanophenyl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylic acid

Systemtic Name: (2S)-2-[6-(3-cyanophenyl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylic acid Openeye Name: (2S)-2-[6-(3-cyanophenyl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylic acid CAS Name: (2S)-2-[6-(3-cyanophenyl)-1H-benzimidazol-2-yl]-1-pyrrolidinecarboxylic acid IUPAC Name: (2S)-2-[6-(3-cyanophenyl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylic acid Traditional Name: (2S)-2-[6-(3-cyanophenyl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylic acid Formula: C19H16N4O2 MolecularWeight: 332.35594

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)O)C2=NC3=C(N2)C=C(C=C3)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)O)C2=NC3=C(N2)C=C(C=C3)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C19H16N4O2/c20-11-12-3-1-4-13(9-12)14-6-7-15-16(10-14)22-18(21-15)17-5-2-8-23(17)19(24)25/h1,3-4,6-7,9-10,17H,2,5,8H2,(H,21,22)(H,24,25)/t17-/m0/s1