tert-butyl 3-[(3-chloranyl-4-cyano-phenoxy)methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[(3-chloranyl-4-cyano-phenoxy)methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[(3-chloro-4-cyano-phenoxy)methyl]piperidine-1-carboxylate CAS Name: 3-[(3-chloro-4-cyanophenoxy)methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(3-chloro-4-cyanophenoxy)methyl]piperidine-1-carboxylate Traditional Name: 3-[(3-chloro-4-cyano-phenoxy)methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C18H23ClN2O3 MolecularWeight: 350.83982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)COC2=CC(=C(C=C2)C#N)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)COC2=CC(=C(C=C2)C#N)Cl

InChI

InChI=1S/C18H23ClN2O3/c1-18(2,3)24-17(22)21-8-4-5-13(11-21)12-23-15-7-6-14(10-20)16(19)9-15/h6-7,9,13H,4-5,8,11-12H2,1-3H3