2-[4-[(3R,4R)-3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenoxy]ethyl benzoate

Systemtic Name: 2-[4-[(3R,4R)-3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenoxy]ethyl benzoate Openeye Name: 2-[4-[(3R,4R)-3-(2-naphthylmethoxy)-4-piperidyl]phenoxy]ethyl benzoate CAS Name: benzoic acid 2-[4-[(3R,4R)-3-(2-naphthalenylmethoxy)-4-piperidinyl]phenoxy]ethyl ester IUPAC Name: 2-[4-[(3R,4R)-3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenoxy]ethyl benzoate Traditional Name: benzoic acid 2-[4-[(3R,4R)-3-(2-naphthylmethoxy)-4-piperidyl]phenoxy]ethyl ester Formula: C31H31NO4 MolecularWeight: 481.58214

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC(C1C2=CC=C(C=C2)OCCOC(=O)C3=CC=CC=C3)OCC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CNC[C@@H]([C@H]1C2=CC=C(C=C2)OCCOC(=O)C3=CC=CC=C3)OCC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C31H31NO4/c33-31(26-7-2-1-3-8-26)35-19-18-34-28-14-12-25(13-15-28)29-16-17-32-21-30(29)36-22-23-10-11-24-6-4-5-9-27(24)20-23/h1-15,20,29-30,32H,16-19,21-22H2/t29-,30+/m1/s1