1-azabicyclo[2.2.2]oct-2-en-3-ylmethyl 3-methyl-2-oxidanyl-2-phenyl-butanoate

Systemtic Name: 1-azabicyclo[2.2.2]oct-2-en-3-ylmethyl 3-methyl-2-oxidanyl-2-phenyl-butanoate Openeye Name: 1-azabicyclo[2.2.2]oct-2-en-3-ylmethyl 2-hydroxy-3-methyl-2-phenyl-butanoate CAS Name: 2-hydroxy-3-methyl-2-phenylbutanoic acid 1-azabicyclo[2.2.2]oct-2-en-3-ylmethyl ester IUPAC Name: 1-azabicyclo[2.2.2]oct-2-en-3-ylmethyl 2-hydroxy-3-methyl-2-phenylbutanoate Traditional Name: 2-hydroxy-3-methyl-2-phenyl-butyric acid 1-azabicyclo[2.2.2]oct-2-en-3-ylmethyl ester Formula: C19H25NO3 MolecularWeight: 315.4067

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=CC=C1)(C(=O)OCC2=CN3CCC2CC3)O

Isomeric SMILES

CC(C)C(C1=CC=CC=C1)(C(=O)OCC2=CN3CCC2CC3)O

InChI

InChI=1S/C19H25NO3/c1-14(2)19(22,17-6-4-3-5-7-17)18(21)23-13-16-12-20-10-8-15(16)9-11-20/h3-7,12,14-15,22H,8-11,13H2,1-2H3