6-(oxan-2-yloxymethyl)-4-phenylmethoxycarbonyl-4-azabicyclo[4.1.0]heptane-7-carboxylic acid

Systemtic Name: 6-(oxan-2-yloxymethyl)-4-phenylmethoxycarbonyl-4-azabicyclo[4.1.0]heptane-7-carboxylic acid Openeye Name: 4-benzyloxycarbonyl-6-(tetrahydropyran-2-yloxymethyl)-4-azabicyclo[4.1.0]heptane-7-carboxylic acid CAS Name: 6-(2-oxanyloxymethyl)-4-phenylmethoxycarbonyl-4-azabicyclo[4.1.0]heptane-7-carboxylic acid IUPAC Name: 6-(oxan-2-yloxymethyl)-4-phenylmethoxycarbonyl-4-azabicyclo[4.1.0]heptane-7-carboxylic acid Traditional Name: 4-carbobenzoxy-6-(tetrahydropyran-2-yloxymethyl)-4-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)OCC23CN(CCC2C3C(=O)O)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CCOC(C1)OCC23CN(CCC2C3C(=O)O)C(=O)OCC4=CC=CC=C4

InChI

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