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

Systemtic Name: 3-(3H-benzimidazol-5-ylmethoxy)-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylic acid Openeye Name: 3-(3H-benzimidazol-5-ylmethoxy)-4-[4-(3-benzyloxypropoxy)phenyl]piperidine-1-carboxylic acid CAS Name: 3-(3H-benzimidazol-5-ylmethoxy)-4-[4-(3-phenylmethoxypropoxy)phenyl]-1-piperidinecarboxylic acid IUPAC Name: 3-(3H-benzimidazol-5-ylmethoxy)-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylic acid Traditional Name: 3-(3H-benzimidazol-5-ylmethoxy)-4-[4-(3-benzoxypropoxy)phenyl]piperidine-1-carboxylic acid Formula: C30H33N3O5 MolecularWeight: 515.60012

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1C2=CC=C(C=C2)OCCCOCC3=CC=CC=C3)OCC4=CC5=C(C=C4)N=CN5)C(=O)O

Isomeric SMILES

C1CN(CC(C1C2=CC=C(C=C2)OCCCOCC3=CC=CC=C3)OCC4=CC5=C(C=C4)N=CN5)C(=O)O

InChI

InChI=1S/C30H33N3O5/c34-30(35)33-14-13-26(29(18-33)38-20-23-7-12-27-28(17-23)32-21-31-27)24-8-10-25(11-9-24)37-16-4-15-36-19-22-5-2-1-3-6-22/h1-3,5-12,17,21,26,29H,4,13-16,18-20H2,(H,31,32)(H,34,35)