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

Systemtic Name: 6-chloranyl-5-methoxy-N-[[(3S,4S)-3-oxidanylpiperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-8-carboxamide Openeye Name: 6-chloro-N-[[(3S,4S)-3-hydroxy-4-piperidyl]methyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-8-carboxamide CAS Name: 6-chloro-N-[[(3S,4S)-3-hydroxy-4-piperidinyl]methyl]-5-methoxy-2,3-dihydro-1,4-benzodioxin-8-carboxamide IUPAC Name: 6-chloro-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-8-carboxamide Traditional Name: 6-chloro-N-[[(3S,4S)-3-hydroxy-4-piperidyl]methyl]-5-methoxy-2,3-dihydro-1,4-benzodioxin-8-carboxamide Formula: C16H21ClN2O5 MolecularWeight: 356.80134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C2=C1OCCO2)C(=O)NCC3CCNCC3O)Cl

Isomeric SMILES

COC1=C(C=C(C2=C1OCCO2)C(=O)NC[C@@H]3CCNC[C@H]3O)Cl

InChI

InChI=1S/C16H21ClN2O5/c1-22-14-11(17)6-10(13-15(14)24-5-4-23-13)16(21)19-7-9-2-3-18-8-12(9)20/h6,9,12,18,20H,2-5,7-8H2,1H3,(H,19,21)/t9-,12+/m0/s1