1-[4-[(5-azanyl-1,3-dimethyl-2H-benzimidazol-2-yl)diazenyl]phenyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[4-[(5-azanyl-1,3-dimethyl-2H-benzimidazol-2-yl)diazenyl]phenyl]piperidine-3-carboxylic acid Openeye Name: 1-[4-[(5-amino-1,3-dimethyl-2H-benzimidazol-2-yl)azo]phenyl]piperidine-3-carboxylic acid CAS Name: 1-[4-[(5-amino-1,3-dimethyl-2H-benzimidazol-2-yl)azo]phenyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[4-[(5-amino-1,3-dimethyl-2H-benzimidazol-2-yl)diazenyl]phenyl]piperidine-3-carboxylic acid Traditional Name: 1-[4-[(5-amino-1,3-dimethyl-2H-benzimidazol-2-yl)azo]phenyl]nipecotic acid Formula: C21H26N6O2 MolecularWeight: 394.47014

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(N(C2=C1C=CC(=C2)N)C)N=NC3=CC=C(C=C3)N4CCCC(C4)C(=O)O

Isomeric SMILES

CN1C(N(C2=C1C=CC(=C2)N)C)N=NC3=CC=C(C=C3)N4CCCC(C4)C(=O)O

InChI

InChI=1S/C21H26N6O2/c1-25-18-10-5-15(22)12-19(18)26(2)21(25)24-23-16-6-8-17(9-7-16)27-11-3-4-14(13-27)20(28)29/h5-10,12,14,21H,3-4,11,13,22H2,1-2H3,(H,28,29)