3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenylsulfanylethoxy)phenyl]piperidine-1-carboxylic acid

Systemtic Name: 3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenylsulfanylethoxy)phenyl]piperidine-1-carboxylic acid Openeye Name: 3-(2-naphthylmethoxy)-4-[4-(2-phenylsulfanylethoxy)phenyl]piperidine-1-carboxylic acid CAS Name: 3-(2-naphthalenylmethoxy)-4-[4-[2-(phenylthio)ethoxy]phenyl]-1-piperidinecarboxylic acid IUPAC Name: 3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenylsulfanylethoxy)phenyl]piperidine-1-carboxylic acid Traditional Name: 3-(2-naphthylmethoxy)-4-[4-[2-(phenylthio)ethoxy]phenyl]piperidine-1-carboxylic acid Formula: C31H31NO4S MolecularWeight: 513.64714

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1C2=CC=C(C=C2)OCCSC3=CC=CC=C3)OCC4=CC5=CC=CC=C5C=C4)C(=O)O

Isomeric SMILES

C1CN(CC(C1C2=CC=C(C=C2)OCCSC3=CC=CC=C3)OCC4=CC5=CC=CC=C5C=C4)C(=O)O

InChI

InChI=1S/C31H31NO4S/c33-31(34)32-17-16-29(30(21-32)36-22-23-10-11-24-6-4-5-7-26(24)20-23)25-12-14-27(15-13-25)35-18-19-37-28-8-2-1-3-9-28/h1-15,20,29-30H,16-19,21-22H2,(H,33,34)