1-[4-[(5-azanyl-1,3,4,6-tetramethyl-2H-benzimidazol-2-yl)diazenyl]phenyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[4-[(5-azanyl-1,3,4,6-tetramethyl-2H-benzimidazol-2-yl)diazenyl]phenyl]piperidine-3-carboxylic acid Openeye Name: 1-[4-[(5-amino-1,3,4,6-tetramethyl-2H-benzimidazol-2-yl)azo]phenyl]piperidine-3-carboxylic acid CAS Name: 1-[4-[(5-amino-1,3,4,6-tetramethyl-2H-benzimidazol-2-yl)azo]phenyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[4-[(5-amino-1,3,4,6-tetramethyl-2H-benzimidazol-2-yl)diazenyl]phenyl]piperidine-3-carboxylic acid Traditional Name: 1-[4-[(5-amino-1,3,4,6-tetramethyl-2H-benzimidazol-2-yl)azo]phenyl]nipecotic acid Formula: C23H30N6O2 MolecularWeight: 422.5233

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1N)C)N(C(N2C)N=NC3=CC=C(C=C3)N4CCCC(C4)C(=O)O)C

Isomeric SMILES

CC1=CC2=C(C(=C1N)C)N(C(N2C)N=NC3=CC=C(C=C3)N4CCCC(C4)C(=O)O)C

InChI

InChI=1S/C23H30N6O2/c1-14-12-19-21(15(2)20(14)24)28(4)23(27(19)3)26-25-17-7-9-18(10-8-17)29-11-5-6-16(13-29)22(30)31/h7-10,12,16,23H,5-6,11,13,24H2,1-4H3,(H,30,31)