2-ethyl-6-methyl-1-(oxan-2-yloxymethyl)-4-oxidanylidene-3-(phenylmethyl)-3-azabicyclo[3.1.0]hexane-5-carboxylic acid

Systemtic Name: 2-ethyl-6-methyl-1-(oxan-2-yloxymethyl)-4-oxidanylidene-3-(phenylmethyl)-3-azabicyclo[3.1.0]hexane-5-carboxylic acid Openeye Name: 3-benzyl-2-ethyl-6-methyl-4-oxo-1-(tetrahydropyran-2-yloxymethyl)-3-azabicyclo[3.1.0]hexane-5-carboxylic acid CAS Name: 2-ethyl-6-methyl-1-(2-oxanyloxymethyl)-4-oxo-3-(phenylmethyl)-3-azabicyclo[3.1.0]hexane-5-carboxylic acid IUPAC Name: 3-benzyl-2-ethyl-6-methyl-1-(oxan-2-yloxymethyl)-4-oxo-3-azabicyclo[3.1.0]hexane-5-carboxylic acid Traditional Name: 3-benzyl-2-ethyl-4-keto-6-methyl-1-(tetrahydropyran-2-yloxymethyl)-3-azabicyclo[3.1.0]hexane-5-carboxylic acid Formula: C22H29NO5 MolecularWeight: 387.46936

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2(C(C2(C(=O)N1CC3=CC=CC=C3)C(=O)O)C)COC4CCCCO4

Isomeric SMILES

CCC1C2(C(C2(C(=O)N1CC3=CC=CC=C3)C(=O)O)C)COC4CCCCO4

InChI

InChI=1S/C22H29NO5/c1-3-17-21(14-28-18-11-7-8-12-27-18)15(2)22(21,20(25)26)19(24)23(17)13-16-9-5-4-6-10-16/h4-6,9-10,15,17-18H,3,7-8,11-14H2,1-2H3,(H,25,26)