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

Systemtic Name: 1-(oxan-2-yloxymethyl)-5-oxidanylidene-4-(phenylmethyl)-4-azabicyclo[4.1.0]heptane-6-carboxylic acid Openeye Name: 4-benzyl-5-oxo-1-(tetrahydropyran-2-yloxymethyl)-4-azabicyclo[4.1.0]heptane-6-carboxylic acid CAS Name: 1-(2-oxanyloxymethyl)-5-oxo-4-(phenylmethyl)-4-azabicyclo[4.1.0]heptane-6-carboxylic acid IUPAC Name: 4-benzyl-1-(oxan-2-yloxymethyl)-5-oxo-4-azabicyclo[4.1.0]heptane-6-carboxylic acid Traditional Name: 4-benzyl-5-keto-1-(tetrahydropyran-2-yloxymethyl)-4-azabicyclo[4.1.0]heptane-6-carboxylic acid Formula: C20H25NO5 MolecularWeight: 359.4162

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OCC23CCN(C(=O)C2(C3)C(=O)O)CC4=CC=CC=C4

Isomeric SMILES

C1CCOC(C1)OCC23CCN(C(=O)C2(C3)C(=O)O)CC4=CC=CC=C4

InChI

InChI=1S/C20H25NO5/c22-17-20(18(23)24)13-19(20,14-26-16-8-4-5-11-25-16)9-10-21(17)12-15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14H2,(H,23,24)