3-[2-(3H-benzimidazol-5-yloxy)ethoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylic acid

Systemtic Name: 3-[2-(3H-benzimidazol-5-yloxy)ethoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylic acid Openeye Name: 3-[2-(3H-benzimidazol-5-yloxy)ethoxy]-4-[4-(3-benzyloxypropoxy)phenyl]piperidine-1-carboxylic acid CAS Name: 3-[2-(3H-benzimidazol-5-yloxy)ethoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]-1-piperidinecarboxylic acid IUPAC Name: 3-[2-(3H-benzimidazol-5-yloxy)ethoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylic acid Traditional Name: 3-[2-(3H-benzimidazol-5-yloxy)ethoxy]-4-[4-(3-benzoxypropoxy)phenyl]piperidine-1-carboxylic acid Formula: C31H35N3O6 MolecularWeight: 545.6261

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1C2=CC=C(C=C2)OCCCOCC3=CC=CC=C3)OCCOC4=CC5=C(C=C4)N=CN5)C(=O)O

Isomeric SMILES

C1CN(CC(C1C2=CC=C(C=C2)OCCCOCC3=CC=CC=C3)OCCOC4=CC5=C(C=C4)N=CN5)C(=O)O

InChI

InChI=1S/C31H35N3O6/c35-31(36)34-14-13-27(30(20-34)40-18-17-39-26-11-12-28-29(19-26)33-22-32-28)24-7-9-25(10-8-24)38-16-4-15-37-21-23-5-2-1-3-6-23/h1-3,5-12,19,22,27,30H,4,13-18,20-21H2,(H,32,33)(H,35,36)