[4-[(3R,4R)-3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl benzoate

Systemtic Name: [4-[(3R,4R)-3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl benzoate Openeye Name: [4-[(3R,4R)-3-(2-naphthylmethoxy)-4-piperidyl]phenyl]methyl benzoate CAS Name: benzoic acid [4-[(3R,4R)-3-(2-naphthalenylmethoxy)-4-piperidinyl]phenyl]methyl ester IUPAC Name: [4-[(3R,4R)-3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl benzoate Traditional Name: benzoic acid [4-[(3R,4R)-3-(2-naphthylmethoxy)-4-piperidyl]benzyl] ester Formula: C30H29NO3 MolecularWeight: 451.55616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H29NO3/c32-30(26-7-2-1-3-8-26)34-20-22-10-14-25(15-11-22)28-16-17-31-19-29(28)33-21-23-12-13-24-6-4-5-9-27(24)18-23/h1-15,18,28-29,31H,16-17,19-21H2/t28-,29+/m1/s1