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

Systemtic Name: N-[2-[3-(tert-butylamino)-2-oxidanyl-propoxy]-3-cyano-phenyl]-2-methyl-propanamide; ethanedioic acid Openeye Name: N-[2-[3-(tert-butylamino)-2-hydroxy-propoxy]-3-cyano-phenyl]-2-methyl-propanamide; oxalic acid CAS Name: N-[2-[3-(tert-butylamino)-2-hydroxypropoxy]-3-cyanophenyl]-2-methylpropanamide; oxalic acid IUPAC Name: N-[2-[3-(tert-butylamino)-2-hydroxypropoxy]-3-cyanophenyl]-2-methylpropanamide; oxalic acid Traditional Name: N-[2-[3-(tert-butylamino)-2-hydroxy-propoxy]-3-cyano-phenyl]-2-methyl-propionamide; oxalic acid Formula: C20H29N3O7 MolecularWeight: 423.46016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O3.C2H2O4/c1-12(2)17(23)21-15-8-6-7-13(9-19)16(15)24-11-14(22)10-20-18(3,4)5;3-1(4)2(5)6/h6-8,12,14,20,22H,10-11H2,1-5H3,(H,21,23);(H,3,4)(H,5,6)