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

Systemtic Name: 3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenylsulfanylethyl)phenyl]piperidine-1-carboxylic acid Openeye Name: 3-(2-naphthylmethoxy)-4-[4-(2-phenylsulfanylethyl)phenyl]piperidine-1-carboxylic acid CAS Name: 3-(2-naphthalenylmethoxy)-4-[4-[2-(phenylthio)ethyl]phenyl]-1-piperidinecarboxylic acid IUPAC Name: 3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenylsulfanylethyl)phenyl]piperidine-1-carboxylic acid Traditional Name: 3-(2-naphthylmethoxy)-4-[4-[2-(phenylthio)ethyl]phenyl]piperidine-1-carboxylic acid Formula: C31H31NO3S MolecularWeight: 497.64774

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1C2=CC=C(C=C2)CCSC3=CC=CC=C3)OCC4=CC5=CC=CC=C5C=C4)C(=O)O

Isomeric SMILES

C1CN(CC(C1C2=CC=C(C=C2)CCSC3=CC=CC=C3)OCC4=CC5=CC=CC=C5C=C4)C(=O)O

InChI

InChI=1S/C31H31NO3S/c33-31(34)32-18-16-29(26-14-10-23(11-15-26)17-19-36-28-8-2-1-3-9-28)30(21-32)35-22-24-12-13-25-6-4-5-7-27(25)20-24/h1-15,20,29-30H,16-19,21-22H2,(H,33,34)