4-[[[3-[4-(cyanomethyl)phenoxy]-2-oxidanyl-propyl]-cyclopropyl-amino]methyl]benzamide

Systemtic Name: 4-[[[3-[4-(cyanomethyl)phenoxy]-2-oxidanyl-propyl]-cyclopropyl-amino]methyl]benzamide Openeye Name: 4-[[[3-[4-(cyanomethyl)phenoxy]-2-hydroxy-propyl]-cyclopropyl-amino]methyl]benzamide CAS Name: 4-[[[3-[4-(cyanomethyl)phenoxy]-2-hydroxypropyl]-cyclopropylamino]methyl]benzamide IUPAC Name: 4-[[[3-[4-(cyanomethyl)phenoxy]-2-hydroxypropyl]-cyclopropylamino]methyl]benzamide Traditional Name: 4-[[[3-[4-(cyanomethyl)phenoxy]-2-hydroxy-propyl]-cyclopropyl-amino]methyl]benzamide Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CC2=CC=C(C=C2)C(=O)N)CC(COC3=CC=C(C=C3)CC#N)O

Isomeric SMILES

C1CC1N(CC2=CC=C(C=C2)C(=O)N)CC(COC3=CC=C(C=C3)CC#N)O

InChI

InChI=1S/C22H25N3O3/c23-12-11-16-3-9-21(10-4-16)28-15-20(26)14-25(19-7-8-19)13-17-1-5-18(6-2-17)22(24)27/h1-6,9-10,19-20,26H,7-8,11,13-15H2,(H2,24,27)