N-[5-[2-(tert-butylamino)-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]-4-(2-cyanoethoxy)benzamide

Systemtic Name: N-[5-[2-(tert-butylamino)-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]-4-(2-cyanoethoxy)benzamide Openeye Name: N-[5-[2-(tert-butylamino)-1-hydroxy-ethyl]-2-hydroxy-phenyl]-4-(2-cyanoethoxy)benzamide CAS Name: N-[5-[2-(tert-butylamino)-1-hydroxyethyl]-2-hydroxyphenyl]-4-(2-cyanoethoxy)benzamide IUPAC Name: N-[5-[2-(tert-butylamino)-1-hydroxyethyl]-2-hydroxyphenyl]-4-(2-cyanoethoxy)benzamide Traditional Name: N-[5-[2-(tert-butylamino)-1-hydroxy-ethyl]-2-hydroxy-phenyl]-4-(2-cyanoethoxy)benzamide Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(C1=CC(=C(C=C1)O)NC(=O)C2=CC=C(C=C2)OCCC#N)O

Isomeric SMILES

CC(C)(C)NCC(C1=CC(=C(C=C1)O)NC(=O)C2=CC=C(C=C2)OCCC#N)O

InChI

InChI=1S/C22H27N3O4/c1-22(2,3)24-14-20(27)16-7-10-19(26)18(13-16)25-21(28)15-5-8-17(9-6-15)29-12-4-11-23/h5-10,13,20,24,26-27H,4,12,14H2,1-3H3,(H,25,28)