tert-butyl 5-[(4-chlorophenyl)-oxidanyl-methyl]-4-azabicyclo[3.1.0]hexane-4-carboxylate

Systemtic Name: tert-butyl 5-[(4-chlorophenyl)-oxidanyl-methyl]-4-azabicyclo[3.1.0]hexane-4-carboxylate Openeye Name: tert-butyl 5-[(4-chlorophenyl)-hydroxy-methyl]-4-azabicyclo[3.1.0]hexane-4-carboxylate CAS Name: 5-[(4-chlorophenyl)-hydroxymethyl]-4-azabicyclo[3.1.0]hexane-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-[(4-chlorophenyl)-hydroxymethyl]-4-azabicyclo[3.1.0]hexane-4-carboxylate Traditional Name: 5-[(4-chlorophenyl)-hydroxy-methyl]-4-azabicyclo[3.1.0]hexane-4-carboxylic acid tert-butyl ester Formula: C17H22ClNO3 MolecularWeight: 323.81448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2C1(C2)C(C3=CC=C(C=C3)Cl)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2C1(C2)C(C3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C17H22ClNO3/c1-16(2,3)22-15(21)19-9-8-12-10-17(12,19)14(20)11-4-6-13(18)7-5-11/h4-7,12,14,20H,8-10H2,1-3H3