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

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

CC1C2(C1(C(=O)N(CC2)CC3=CC=CC=C3)C(=O)O)COC4CCCCO4

Isomeric SMILES

CC1C2(C1(C(=O)N(CC2)CC3=CC=CC=C3)C(=O)O)COC4CCCCO4

InChI

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