N-[2-[[3-[3-(azocan-1-yl)-2-oxidanyl-propoxy]-4-methoxy-phenyl]methylamino]ethyl]ethanamide

Systemtic Name: N-[2-[[3-[3-(azocan-1-yl)-2-oxidanyl-propoxy]-4-methoxy-phenyl]methylamino]ethyl]ethanamide Openeye Name: N-[2-[[3-[3-(azocan-1-yl)-2-hydroxy-propoxy]-4-methoxy-phenyl]methylamino]ethyl]acetamide CAS Name: N-[2-[[3-[3-(1-azocanyl)-2-hydroxypropoxy]-4-methoxyphenyl]methylamino]ethyl]acetamide IUPAC Name: N-[2-[[3-[3-(azocan-1-yl)-2-hydroxypropoxy]-4-methoxyphenyl]methylamino]ethyl]acetamide Traditional Name: N-[2-[[3-[3-(azocan-1-yl)-2-hydroxy-propoxy]-4-methoxy-benzyl]amino]ethyl]acetamide Formula: C22H37N3O4 MolecularWeight: 407.54688

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNCC1=CC(=C(C=C1)OC)OCC(CN2CCCCCCC2)O

Isomeric SMILES

CC(=O)NCCNCC1=CC(=C(C=C1)OC)OCC(CN2CCCCCCC2)O

InChI

InChI=1S/C22H37N3O4/c1-18(26)24-11-10-23-15-19-8-9-21(28-2)22(14-19)29-17-20(27)16-25-12-6-4-3-5-7-13-25/h8-9,14,20,23,27H,3-7,10-13,15-17H2,1-2H3,(H,24,26)