(6-methyl-6-azabicyclo[3.1.1]heptan-3-yl)methyl 3-oxidanyl-2-phenyl-propanoate; sulfuric acid

Systemtic Name: (6-methyl-6-azabicyclo[3.1.1]heptan-3-yl)methyl 3-oxidanyl-2-phenyl-propanoate; sulfuric acid Openeye Name: (6-methyl-6-azabicyclo[3.1.1]heptan-3-yl)methyl 3-hydroxy-2-phenyl-propanoate; sulfuric acid CAS Name: 3-hydroxy-2-phenylpropanoic acid (6-methyl-6-azabicyclo[3.1.1]heptan-3-yl)methyl ester; sulfuric acid IUPAC Name: (6-methyl-6-azabicyclo[3.1.1]heptan-3-yl)methyl 3-hydroxy-2-phenylpropanoate; sulfuric acid Traditional Name: 3-hydroxy-2-phenyl-propionic acid (6-methyl-6-azabicyclo[3.1.1]heptan-3-yl)methyl ester; sulfuric acid Formula: C34H48N2O10S MolecularWeight: 676.81732

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2CC(CC1C2)COC(=O)C(CO)C3=CC=CC=C3.CN1C2CC(CC1C2)COC(=O)C(CO)C3=CC=CC=C3.OS(=O)(=O)O

Isomeric SMILES

CN1C2CC(CC1C2)COC(=O)C(CO)C3=CC=CC=C3.CN1C2CC(CC1C2)COC(=O)C(CO)C3=CC=CC=C3.OS(=O)(=O)O

InChI

InChI=1S/2C17H23NO3.H2O4S/c2*1-18-14-7-12(8-15(18)9-14)11-21-17(20)16(10-19)13-5-3-2-4-6-13;1-5(2,3)4/h2*2-6,12,14-16,19H,7-11H2,1H3;(H2,1,2,3,4)