1-[4-[(1,3-dimethyl-2H-benzimidazol-2-yl)diazenyl]phenyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[4-[(1,3-dimethyl-2H-benzimidazol-2-yl)diazenyl]phenyl]piperidine-3-carboxylic acid Openeye Name: 1-[4-[(1,3-dimethyl-2H-benzimidazol-2-yl)azo]phenyl]piperidine-3-carboxylic acid CAS Name: 1-[4-[(1,3-dimethyl-2H-benzimidazol-2-yl)azo]phenyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[4-[(1,3-dimethyl-2H-benzimidazol-2-yl)diazenyl]phenyl]piperidine-3-carboxylic acid Traditional Name: 1-[4-[(1,3-dimethyl-2H-benzimidazol-2-yl)azo]phenyl]nipecotic acid Formula: C21H25N5O2 MolecularWeight: 379.4555

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(N(C2=CC=CC=C21)C)N=NC3=CC=C(C=C3)N4CCCC(C4)C(=O)O

Isomeric SMILES

CN1C(N(C2=CC=CC=C21)C)N=NC3=CC=C(C=C3)N4CCCC(C4)C(=O)O

InChI

InChI=1S/C21H25N5O2/c1-24-18-7-3-4-8-19(18)25(2)21(24)23-22-16-9-11-17(12-10-16)26-13-5-6-15(14-26)20(27)28/h3-4,7-12,15,21H,5-6,13-14H2,1-2H3,(H,27,28)