N-[[(3S,4S)-1-butyl-3-oxidanyl-piperidin-4-yl]methyl]-6-chloranyl-5-methoxy-2,3-dihydro-1,4-benzodioxine-8-carboxamide

Systemtic Name: N-[[(3S,4S)-1-butyl-3-oxidanyl-piperidin-4-yl]methyl]-6-chloranyl-5-methoxy-2,3-dihydro-1,4-benzodioxine-8-carboxamide Openeye Name: N-[[(3S,4S)-1-butyl-3-hydroxy-4-piperidyl]methyl]-6-chloro-5-methoxy-2,3-dihydro-1,4-benzodioxine-8-carboxamide CAS Name: N-[[(3S,4S)-1-butyl-3-hydroxy-4-piperidinyl]methyl]-6-chloro-5-methoxy-2,3-dihydro-1,4-benzodioxin-8-carboxamide IUPAC Name: N-[[(3S,4S)-1-butyl-3-hydroxypiperidin-4-yl]methyl]-6-chloro-5-methoxy-2,3-dihydro-1,4-benzodioxine-8-carboxamide Traditional Name: N-[[(3S,4S)-1-butyl-3-hydroxy-4-piperidyl]methyl]-6-chloro-5-methoxy-2,3-dihydro-1,4-benzodioxin-8-carboxamide Formula: C20H29ClN2O5 MolecularWeight: 412.90766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC(C(C1)O)CNC(=O)C2=CC(=C(C3=C2OCCO3)OC)Cl

Isomeric SMILES

CCCCN1CC[C@H]([C@@H](C1)O)CNC(=O)C2=CC(=C(C3=C2OCCO3)OC)Cl

InChI

InChI=1S/C20H29ClN2O5/c1-3-4-6-23-7-5-13(16(24)12-23)11-22-20(25)14-10-15(21)18(26-2)19-17(14)27-8-9-28-19/h10,13,16,24H,3-9,11-12H2,1-2H3,(H,22,25)/t13-,16+/m0/s1