tert-butyl 4-[3-[4-(cyanomethyl)phenoxy]-2-oxidanyl-propyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[4-(cyanomethyl)phenoxy]-2-oxidanyl-propyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-[4-(cyanomethyl)phenoxy]-2-hydroxy-propyl]piperazine-1-carboxylate CAS Name: 4-[3-[4-(cyanomethyl)phenoxy]-2-hydroxypropyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[4-(cyanomethyl)phenoxy]-2-hydroxypropyl]piperazine-1-carboxylate Traditional Name: 4-[3-[4-(cyanomethyl)phenoxy]-2-hydroxy-propyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H29N3O4 MolecularWeight: 375.46196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CC(COC2=CC=C(C=C2)CC#N)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CC(COC2=CC=C(C=C2)CC#N)O

InChI

InChI=1S/C20H29N3O4/c1-20(2,3)27-19(25)23-12-10-22(11-13-23)14-17(24)15-26-18-6-4-16(5-7-18)8-9-21/h4-7,17,24H,8,10-15H2,1-3H3