1-methyl-7-(oxan-2-yloxymethyl)-5-oxidanylidene-4-(phenylmethyl)-4-azabicyclo[4.1.0]heptane-6-carboxylic acid

Systemtic Name: 1-methyl-7-(oxan-2-yloxymethyl)-5-oxidanylidene-4-(phenylmethyl)-4-azabicyclo[4.1.0]heptane-6-carboxylic acid Openeye Name: 4-benzyl-1-methyl-5-oxo-7-(tetrahydropyran-2-yloxymethyl)-4-azabicyclo[4.1.0]heptane-6-carboxylic acid CAS Name: 1-methyl-7-(2-oxanyloxymethyl)-5-oxo-4-(phenylmethyl)-4-azabicyclo[4.1.0]heptane-6-carboxylic acid IUPAC Name: 4-benzyl-1-methyl-7-(oxan-2-yloxymethyl)-5-oxo-4-azabicyclo[4.1.0]heptane-6-carboxylic acid Traditional Name: 4-benzyl-5-keto-1-methyl-7-(tetrahydropyran-2-yloxymethyl)-4-azabicyclo[4.1.0]heptane-6-carboxylic acid Formula: C21H27NO5 MolecularWeight: 373.44278

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCN(C(=O)C1(C2COC3CCCCO3)C(=O)O)CC4=CC=CC=C4

Isomeric SMILES

CC12CCN(C(=O)C1(C2COC3CCCCO3)C(=O)O)CC4=CC=CC=C4

InChI

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