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

Systemtic Name: 1-[4-[(5-azanyl-1,3-dimethyl-2H-benzimidazol-2-yl)diazenyl]phenyl]piperidine-2-carboxylic acid Openeye Name: 1-[4-[(5-amino-1,3-dimethyl-2H-benzimidazol-2-yl)azo]phenyl]piperidine-2-carboxylic acid CAS Name: 1-[4-[(5-amino-1,3-dimethyl-2H-benzimidazol-2-yl)azo]phenyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[4-[(5-amino-1,3-dimethyl-2H-benzimidazol-2-yl)diazenyl]phenyl]piperidine-2-carboxylic acid Traditional Name: 1-[4-[(5-amino-1,3-dimethyl-2H-benzimidazol-2-yl)azo]phenyl]pipecolinic 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)N4CCCCC4C(=O)O

Isomeric SMILES

CN1C(N(C2=C1C=CC(=C2)N)C)N=NC3=CC=C(C=C3)N4CCCCC4C(=O)O

InChI

InChI=1S/C21H26N6O2/c1-25-17-11-6-14(22)13-19(17)26(2)21(25)24-23-15-7-9-16(10-8-15)27-12-4-3-5-18(27)20(28)29/h6-11,13,18,21H,3-5,12,22H2,1-2H3,(H,28,29)