N-[4-[3-(tert-butylamino)-2-oxidanyl-propoxy]-3-cyano-phenyl]octanamide hydrochloride

Systemtic Name: N-[4-[3-(tert-butylamino)-2-oxidanyl-propoxy]-3-cyano-phenyl]octanamide hydrochloride Openeye Name: N-[4-[3-(tert-butylamino)-2-hydroxy-propoxy]-3-cyano-phenyl]octanamide hydrochloride CAS Name: N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-cyanophenyl]octanamide hydrochloride IUPAC Name: N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-cyanophenyl]octanamide hydrochloride Traditional Name: N-[4-[3-(tert-butylamino)-2-hydroxy-propoxy]-3-cyano-phenyl]caprylamide hydrochloride Formula: C22H36ClN3O3 MolecularWeight: 425.99254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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