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LXM

Summary
Name:[(3~{S},3~{a}~{S},8~{b}~{S})-3-(hydroxymethyl)-2,3,3~{a},8~{b}-tetrahydro-[1]benzofuro[3,2-b]pyrrol-1-yl]-phenyl-methanone
Formula:C18 H17 N O3
Formal charge:0
Formula weight:295.332 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.6[(3~{S},3~{a}~{S},8~{b}~{S})-3-(hydroxymethyl)-2,3,3~{a},8~{b}-tetrahydro-[1]benzofuro[3,2-b]pyrrol-1-yl]-phenyl-methanone

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C18H17NO3/c20-11-13-10-19(18(21)12-6-2-1-3-7-12)16-14-8-4-5-9-15(14)22-17(13)16/h1-9,13,16-17,20H,10-11H2/t13-,16-,17-/m0/s1
InChIKeyInChI1.03VKQHNAPJGDBELB-JQFCIGGWSA-N
SMILES_CANONICALCACTVS3.385OC[C@@H]1CN([C@@H]2[C@H]1Oc3ccccc23)C(=O)c4ccccc4
SMILESCACTVS3.385OC[CH]1CN([CH]2[CH]1Oc3ccccc23)C(=O)c4ccccc4
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccc(cc1)C(=O)N2C[C@H]([C@H]3[C@@H]2c4ccccc4O3)CO
SMILESOpenEye OEToolkits2.0.6c1ccc(cc1)C(=O)N2CC(C3C2c4ccccc4O3)CO

222415

數據於2024-07-10公開中

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