3-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylic acid

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylic acid Openeye Name: 4-[4-(3-benzyloxypropoxy)phenyl]-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)piperidine-1-carboxylic acid CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)-4-[4-(3-phenylmethoxypropoxy)phenyl]-1-piperidinecarboxylic acid IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylic acid Traditional Name: 4-[4-(3-benzoxypropoxy)phenyl]-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)piperidine-1-carboxylic acid Formula: C31H35NO7 MolecularWeight: 533.6121

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1C2=CC=C(C=C2)OCCCOCC3=CC=CC=C3)OCC4=CC5=C(C=C4)OCCO5)C(=O)O

Isomeric SMILES

C1CN(CC(C1C2=CC=C(C=C2)OCCCOCC3=CC=CC=C3)OCC4=CC5=C(C=C4)OCCO5)C(=O)O

InChI

InChI=1S/C31H35NO7/c33-31(34)32-14-13-27(30(20-32)39-22-24-7-12-28-29(19-24)38-18-17-37-28)25-8-10-26(11-9-25)36-16-4-15-35-21-23-5-2-1-3-6-23/h1-3,5-12,19,27,30H,4,13-18,20-22H2,(H,33,34)