N-[[(3S,4S)-1-(4-azanyl-4-oxidanylidene-butyl)-3-oxidanyl-piperidin-4-yl]methyl]-7-methyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide

Systemtic Name: N-[[(3S,4S)-1-(4-azanyl-4-oxidanylidene-butyl)-3-oxidanyl-piperidin-4-yl]methyl]-7-methyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide Openeye Name: N-[[(3S,4S)-1-(4-amino-4-oxo-butyl)-3-hydroxy-4-piperidyl]methyl]-7-methyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide CAS Name: N-[[(3S,4S)-1-(4-amino-4-oxobutyl)-3-hydroxy-4-piperidinyl]methyl]-7-methyl-2,3-dihydro-1,4-benzodioxin-5-carboxamide IUPAC Name: N-[[(3S,4S)-1-(4-amino-4-oxobutyl)-3-hydroxypiperidin-4-yl]methyl]-7-methyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide Traditional Name: N-[[(3S,4S)-1-(4-amino-4-keto-butyl)-3-hydroxy-4-piperidyl]methyl]-7-methyl-2,3-dihydro-1,4-benzodioxin-5-carboxamide Formula: C20H29N3O5 MolecularWeight: 391.46136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1)C(=O)NCC3CCN(CC3O)CCCC(=O)N)OCCO2

Isomeric SMILES

CC1=CC2=C(C(=C1)C(=O)NC[C@@H]3CCN(C[C@H]3O)CCCC(=O)N)OCCO2

InChI

InChI=1S/C20H29N3O5/c1-13-9-15(19-17(10-13)27-7-8-28-19)20(26)22-11-14-4-6-23(12-16(14)24)5-2-3-18(21)25/h9-10,14,16,24H,2-8,11-12H2,1H3,(H2,21,25)(H,22,26)/t14-,16+/m0/s1