3-[[3-[4-(cyanomethyl)phenoxy]-2-oxidanyl-propyl]-(phenylmethyl)amino]propanamide

Systemtic Name: 3-[[3-[4-(cyanomethyl)phenoxy]-2-oxidanyl-propyl]-(phenylmethyl)amino]propanamide Openeye Name: 3-[benzyl-[3-[4-(cyanomethyl)phenoxy]-2-hydroxy-propyl]amino]propanamide CAS Name: 3-[[3-[4-(cyanomethyl)phenoxy]-2-hydroxypropyl]-(phenylmethyl)amino]propanamide IUPAC Name: 3-[benzyl-[3-[4-(cyanomethyl)phenoxy]-2-hydroxypropyl]amino]propanamide Traditional Name: 3-[benzyl-[3-[4-(cyanomethyl)phenoxy]-2-hydroxy-propyl]amino]propionamide Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCC(=O)N)CC(COC2=CC=C(C=C2)CC#N)O

Isomeric SMILES

C1=CC=C(C=C1)CN(CCC(=O)N)CC(COC2=CC=C(C=C2)CC#N)O

InChI

InChI=1S/C21H25N3O3/c22-12-10-17-6-8-20(9-7-17)27-16-19(25)15-24(13-11-21(23)26)14-18-4-2-1-3-5-18/h1-9,19,25H,10-11,13-16H2,(H2,23,26)