2-oxidanyl-2-[3-[(2-phenyl-3H-benzimidazol-5-yl)oxy]propyl]piperazine-1-carboxylic acid

Systemtic Name: 2-oxidanyl-2-[3-[(2-phenyl-3H-benzimidazol-5-yl)oxy]propyl]piperazine-1-carboxylic acid Openeye Name: 2-hydroxy-2-[3-[(2-phenyl-3H-benzimidazol-5-yl)oxy]propyl]piperazine-1-carboxylic acid CAS Name: 2-hydroxy-2-[3-[(2-phenyl-3H-benzimidazol-5-yl)oxy]propyl]-1-piperazinecarboxylic acid IUPAC Name: 2-hydroxy-2-[3-[(2-phenyl-3H-benzimidazol-5-yl)oxy]propyl]piperazine-1-carboxylic acid Traditional Name: 2-hydroxy-2-[3-[(2-phenyl-3H-benzimidazol-5-yl)oxy]propyl]piperazine-1-carboxylic acid Formula: C21H24N4O4 MolecularWeight: 396.43966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1)(CCCOC2=CC3=C(C=C2)N=C(N3)C4=CC=CC=C4)O)C(=O)O

Isomeric SMILES

C1CN(C(CN1)(CCCOC2=CC3=C(C=C2)N=C(N3)C4=CC=CC=C4)O)C(=O)O

InChI

InChI=1S/C21H24N4O4/c26-20(27)25-11-10-22-14-21(25,28)9-4-12-29-16-7-8-17-18(13-16)24-19(23-17)15-5-2-1-3-6-15/h1-3,5-8,13,22,28H,4,9-12,14H2,(H,23,24)(H,26,27)