tert-butyl 4-(4-chlorophenyl)-4-oxidanyl-azepane-1-carboxylate

Systemtic Name: tert-butyl 4-(4-chlorophenyl)-4-oxidanyl-azepane-1-carboxylate Openeye Name: tert-butyl 4-(4-chlorophenyl)-4-hydroxy-azepane-1-carboxylate CAS Name: 4-(4-chlorophenyl)-4-hydroxy-1-azepanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-chlorophenyl)-4-hydroxyazepane-1-carboxylate Traditional Name: 4-(4-chlorophenyl)-4-hydroxy-azepane-1-carboxylic acid tert-butyl ester Formula: C17H24ClNO3 MolecularWeight: 325.83036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(CC1)(C2=CC=C(C=C2)Cl)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(CC1)(C2=CC=C(C=C2)Cl)O

InChI

InChI=1S/C17H24ClNO3/c1-16(2,3)22-15(20)19-11-4-9-17(21,10-12-19)13-5-7-14(18)8-6-13/h5-8,21H,4,9-12H2,1-3H3