4-(1H-benzimidazol-2-yl)-2-(2-cyanopropyl)hexanoic acid

Systemtic Name: 4-(1H-benzimidazol-2-yl)-2-(2-cyanopropyl)hexanoic acid Openeye Name: 4-(1H-benzimidazol-2-yl)-2-(2-cyanopropyl)hexanoic acid CAS Name: 4-(1H-benzimidazol-2-yl)-2-(2-cyanopropyl)hexanoic acid IUPAC Name: 4-(1H-benzimidazol-2-yl)-2-(2-cyanopropyl)hexanoic acid Traditional Name: 4-(1H-benzimidazol-2-yl)-2-(2-cyanopropyl)hexanoic acid Formula: C17H21N3O2 MolecularWeight: 299.36754

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(CC(C)C#N)C(=O)O)C1=NC2=CC=CC=C2N1

Isomeric SMILES

CCC(CC(CC(C)C#N)C(=O)O)C1=NC2=CC=CC=C2N1

InChI

InChI=1S/C17H21N3O2/c1-3-12(9-13(17(21)22)8-11(2)10-18)16-19-14-6-4-5-7-15(14)20-16/h4-7,11-13H,3,8-9H2,1-2H3,(H,19,20)(H,21,22)