N-[2-[3-(tert-butylamino)-2-oxidanyl-propoxy]-3-cyano-phenyl]hexanamide; ethanedioic acid

Systemtic Name: N-[2-[3-(tert-butylamino)-2-oxidanyl-propoxy]-3-cyano-phenyl]hexanamide; ethanedioic acid Openeye Name: N-[2-[3-(tert-butylamino)-2-hydroxy-propoxy]-3-cyano-phenyl]hexanamide; oxalic acid CAS Name: N-[2-[3-(tert-butylamino)-2-hydroxypropoxy]-3-cyanophenyl]hexanamide; oxalic acid IUPAC Name: N-[2-[3-(tert-butylamino)-2-hydroxypropoxy]-3-cyanophenyl]hexanamide; oxalic acid Traditional Name: N-[2-[3-(tert-butylamino)-2-hydroxy-propoxy]-3-cyano-phenyl]hexanamide; oxalic acid Formula: C22H33N3O7 MolecularWeight: 451.51332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC=CC(=C1OCC(CNC(C)(C)C)O)C#N.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCCC(=O)NC1=CC=CC(=C1OCC(CNC(C)(C)C)O)C#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H31N3O3.C2H2O4/c1-5-6-7-11-18(25)23-17-10-8-9-15(12-21)19(17)26-14-16(24)13-22-20(2,3)4;3-1(4)2(5)6/h8-10,16,22,24H,5-7,11,13-14H2,1-4H3,(H,23,25);(H,3,4)(H,5,6)