5-(oxan-2-yloxymethyl)-3-phenylmethoxycarbonyl-3-azabicyclo[4.1.0]heptane-7-carboxylic acid

Systemtic Name: 5-(oxan-2-yloxymethyl)-3-phenylmethoxycarbonyl-3-azabicyclo[4.1.0]heptane-7-carboxylic acid Openeye Name: 3-benzyloxycarbonyl-5-(tetrahydropyran-2-yloxymethyl)-3-azabicyclo[4.1.0]heptane-7-carboxylic acid CAS Name: 5-(2-oxanyloxymethyl)-3-phenylmethoxycarbonyl-3-azabicyclo[4.1.0]heptane-7-carboxylic acid IUPAC Name: 5-(oxan-2-yloxymethyl)-3-phenylmethoxycarbonyl-3-azabicyclo[4.1.0]heptane-7-carboxylic acid Traditional Name: 3-carbobenzoxy-5-(tetrahydropyran-2-yloxymethyl)-3-azabicyclo[4.1.0]heptane-7-carboxylic acid Formula: C21H27NO6 MolecularWeight: 389.44218

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OCC2CN(CC3C2C3C(=O)O)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CCOC(C1)OCC2CN(CC3C2C3C(=O)O)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C21H27NO6/c23-20(24)19-16-11-22(21(25)28-12-14-6-2-1-3-7-14)10-15(18(16)19)13-27-17-8-4-5-9-26-17/h1-3,6-7,15-19H,4-5,8-13H2,(H,23,24)