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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35N3O3.ClH/c1-6-16(7-2)8-11-21(27)25-18-9-10-20(17(12-18)13-23)28-15-19(26)14-24-22(3,4)5;/h9-10,12,16,19,24,26H,6-8,11,14-15H2,1-5H3,(H,25,27);1H