[4-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenoxy]-1-phenyl-butyl] benzoate

Systemtic Name: [4-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenoxy]-1-phenyl-butyl] benzoate Openeye Name: [4-[4-[3-(2-naphthylmethoxy)-4-piperidyl]phenoxy]-1-phenyl-butyl] benzoate CAS Name: benzoic acid [4-[4-[3-(2-naphthalenylmethoxy)-4-piperidinyl]phenoxy]-1-phenylbutyl] ester IUPAC Name: [4-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenoxy]-1-phenylbutyl] benzoate Traditional Name: benzoic acid [4-[4-[3-(2-naphthylmethoxy)-4-piperidyl]phenoxy]-1-phenyl-butyl] ester Formula: C39H39NO4 MolecularWeight: 585.73126

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC(C1C2=CC=C(C=C2)OCCCC(C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OCC5=CC6=CC=CC=C6C=C5

Isomeric SMILES

C1CNCC(C1C2=CC=C(C=C2)OCCCC(C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OCC5=CC6=CC=CC=C6C=C5

InChI

InChI=1S/C39H39NO4/c41-39(33-13-5-2-6-14-33)44-37(32-11-3-1-4-12-32)16-9-25-42-35-21-19-31(20-22-35)36-23-24-40-27-38(36)43-28-29-17-18-30-10-7-8-15-34(30)26-29/h1-8,10-15,17-22,26,36-38,40H,9,16,23-25,27-28H2