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

Systemtic Name: N-[4-[3-(butan-2-ylamino)-2-oxidanyl-propoxy]-3-cyano-phenyl]hexanamide Openeye Name: N-[3-cyano-4-[2-hydroxy-3-(sec-butylamino)propoxy]phenyl]hexanamide CAS Name: N-[4-[3-(butan-2-ylamino)-2-hydroxypropoxy]-3-cyanophenyl]hexanamide IUPAC Name: N-[4-[3-(butan-2-ylamino)-2-hydroxypropoxy]-3-cyanophenyl]hexanamide Traditional Name: N-[3-cyano-4-[2-hydroxy-3-(sec-butylamino)propoxy]phenyl]hexanamide Formula: C20H31N3O3 MolecularWeight: 361.47844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O3/c1-4-6-7-8-20(25)23-17-9-10-19(16(11-17)12-21)26-14-18(24)13-22-15(3)5-2/h9-11,15,18,22,24H,4-8,13-14H2,1-3H3,(H,23,25)