rel-(3-chloro-5-methoxyphenyl)((3aR,4R,7aS)-4-ethyl-4-hydroxyhexahydro-1H-isoindol-2(3H)-yl)methanone
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Basic information
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Exact Mass | 337.14447 |
Smiles | O=C(C1=CC(OC)=CC(Cl)=C1)N1C[C@@]2([H])CCC[C@](O)(CC)[C@@]2([H])C1 |
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Canonical Smiles | CC[C@@]1(O)CCC[C@@H]2CN(C[C@H]12)C(=O)C1C=C(Cl)C=C(C=1)OC |
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Inchi | InChI=1S/C18H24ClNO3/c1-3-18(22)6-4-5-12-10-20(11-16(12)18)17(21)13-7-14(19)9-15(8-13)23-2/h7-9,12,16,22H,3-6,10-11H2,1-2H3/t12-,16+,18-/m1/s1 |
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InchiKey | CUFNCGDJRVPNLM-PZPSRYQVSA-N |
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