5-methyl-4-(oxan-2-yloxymethyl)-3-phenylmethoxycarbonyl-3-azabicyclo[4.1.0]heptane-7-carboxylic acid

Systemtic Name: 5-methyl-4-(oxan-2-yloxymethyl)-3-phenylmethoxycarbonyl-3-azabicyclo[4.1.0]heptane-7-carboxylic acid Openeye Name: 3-benzyloxycarbonyl-5-methyl-4-(tetrahydropyran-2-yloxymethyl)-3-azabicyclo[4.1.0]heptane-7-carboxylic acid CAS Name: 5-methyl-4-(2-oxanyloxymethyl)-3-phenylmethoxycarbonyl-3-azabicyclo[4.1.0]heptane-7-carboxylic acid IUPAC Name: 5-methyl-4-(oxan-2-yloxymethyl)-3-phenylmethoxycarbonyl-3-azabicyclo[4.1.0]heptane-7-carboxylic acid Traditional Name: 3-carbobenzoxy-5-methyl-4-(tetrahydropyran-2-yloxymethyl)-3-azabicyclo[4.1.0]heptane-7-carboxylic acid Formula: C22H29NO6 MolecularWeight: 403.46876

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(CC2C1C2C(=O)O)C(=O)OCC3=CC=CC=C3)COC4CCCCO4

Isomeric SMILES

CC1C(N(CC2C1C2C(=O)O)C(=O)OCC3=CC=CC=C3)COC4CCCCO4

InChI

InChI=1S/C22H29NO6/c1-14-17(13-28-18-9-5-6-10-27-18)23(11-16-19(14)20(16)21(24)25)22(26)29-12-15-7-3-2-4-8-15/h2-4,7-8,14,16-20H,5-6,9-13H2,1H3,(H,24,25)