[3-(phenylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl 2-cyclobutyl-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: [3-(phenylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl 2-cyclobutyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: (3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl 2-cyclobutyl-2-hydroxy-2-phenyl-acetate CAS Name: 2-cyclobutyl-2-hydroxy-2-phenylacetic acid [3-(phenylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl ester IUPAC Name: (3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl 2-cyclobutyl-2-hydroxy-2-phenylacetate Traditional Name: 2-cyclobutyl-2-hydroxy-2-phenyl-acetic acid (3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl ester Formula: C25H29NO3 MolecularWeight: 391.50266

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(C2=CC=CC=C2)(C(=O)OCC3C4C3CN(C4)CC5=CC=CC=C5)O

Isomeric SMILES

C1CC(C1)C(C2=CC=CC=C2)(C(=O)OCC3C4C3CN(C4)CC5=CC=CC=C5)O

InChI

InChI=1S/C25H29NO3/c27-24(25(28,20-12-7-13-20)19-10-5-2-6-11-19)29-17-23-21-15-26(16-22(21)23)14-18-8-3-1-4-9-18/h1-6,8-11,20-23,28H,7,12-17H2