(phenylmethyl) 7-methyl-4-(oxan-2-yloxymethyl)-5-oxidanylidene-3-azabicyclo[4.1.0]heptane-3-carboxylate

Systemtic Name: (phenylmethyl) 7-methyl-4-(oxan-2-yloxymethyl)-5-oxidanylidene-3-azabicyclo[4.1.0]heptane-3-carboxylate Openeye Name: benzyl 7-methyl-5-oxo-4-(tetrahydropyran-2-yloxymethyl)-3-azabicyclo[4.1.0]heptane-3-carboxylate CAS Name: 7-methyl-4-(2-oxanyloxymethyl)-5-oxo-3-azabicyclo[4.1.0]heptane-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 7-methyl-4-(oxan-2-yloxymethyl)-5-oxo-3-azabicyclo[4.1.0]heptane-3-carboxylate Traditional Name: 5-keto-7-methyl-4-(tetrahydropyran-2-yloxymethyl)-3-azabicyclo[4.1.0]heptane-3-carboxylic acid benzyl ester Formula: C21H27NO5 MolecularWeight: 373.44278

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C1C(=O)C(N(C2)C(=O)OCC3=CC=CC=C3)COC4CCCCO4

Isomeric SMILES

CC1C2C1C(=O)C(N(C2)C(=O)OCC3=CC=CC=C3)COC4CCCCO4

InChI

InChI=1S/C21H27NO5/c1-14-16-11-22(21(24)27-12-15-7-3-2-4-8-15)17(20(23)19(14)16)13-26-18-9-5-6-10-25-18/h2-4,7-8,14,16-19H,5-6,9-13H2,1H3