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CHEBI:49854 - 4-[(4R,5R)-3-(METHOXYMETHYL)-5-(2-NAPHTHYLMETHOXY)PIPERIDIN-4-YL]BENZYL 2-CHLOROBENZOATE
| Formula | C32H32ClNO4 |
| Net Charge | 0 |
| Average Mass | 530.064 |
| Monoisotopic Mass | 529.20199 |
| SMILES | [H]c1c([H])c([H])c(C(=O)OC([H])([H])c2c([H])c([H])c([C@@]3([H])[C@]([H])(C([H])([H])OC([H])([H])[H])C([H])([H])N([H])C([H])([H])[C@]3([H])OC([H])([H])c3c([H])c([H])c4c([H])c([H])c([H])c([H])c4c3[H])c([H])c2[H])c(Cl)c1[H] |
| InChI | InChI=1S/C32H32ClNO4/c1-36-21-27-17-34-18-30(37-20-23-12-13-24-6-2-3-7-26(24)16-23)31(27)25-14-10-22(11-15-25)19-38-32(35)28-8-4-5-9-29(28)33/h2-16,27,30-31,34H,17-21H2,1H3/t27-,30-,31-/m0/s1 |
| InChIKey | MDNCEOVGVRNOIK-NAYUSWPISA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-[(4R,5R)-3-(METHOXYMETHYL)-5-(2-NAPHTHYLMETHOXY)PIPERIDIN-4-YL]BENZYL 2-CHLOROBENZOATE (CHEBI:49854) is a unclassifieds (CHEBI:27189) |
| Synonyms | Source |
|---|---|
| 4-[(3S,4R,5R)-3-(methoxymethyl)-5-(naphthalen-2-ylmethoxy)piperidin-4-yl]benzyl 2-chlorobenzoate | PDBeChem |
| 4-[(4R,5R)-3-(METHOXYMETHYL)-5-(2-NAPHTHYLMETHOXY)PIPERIDIN-4-YL]BENZYL 2-CHLOROBENZOATE | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| RBC | PDBeChem |