N-[4-[3-(butan-2-ylamino)-2-oxidanyl-propoxy]-3-cyano-phenyl]octanamide

Systemtic Name: N-[4-[3-(butan-2-ylamino)-2-oxidanyl-propoxy]-3-cyano-phenyl]octanamide Openeye Name: N-[3-cyano-4-[2-hydroxy-3-(sec-butylamino)propoxy]phenyl]octanamide CAS Name: N-[4-[3-(butan-2-ylamino)-2-hydroxypropoxy]-3-cyanophenyl]octanamide IUPAC Name: N-[4-[3-(butan-2-ylamino)-2-hydroxypropoxy]-3-cyanophenyl]octanamide Traditional Name: N-[3-cyano-4-[2-hydroxy-3-(sec-butylamino)propoxy]phenyl]caprylamide Formula: C22H35N3O3 MolecularWeight: 389.5316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC1=CC(=C(C=C1)OCC(CNC(C)CC)O)C#N

Isomeric SMILES

CCCCCCCC(=O)NC1=CC(=C(C=C1)OCC(CNC(C)CC)O)C#N

InChI

InChI=1S/C22H35N3O3/c1-4-6-7-8-9-10-22(27)25-19-11-12-21(18(13-19)14-23)28-16-20(26)15-24-17(3)5-2/h11-13,17,20,24,26H,4-10,15-16H2,1-3H3,(H,25,27)