dipropan-2-yl 3-oxidanylidene-8-(phenylmethyl)-8-azabicyclo[3.2.1]octane-2,4-dicarboxylate

Systemtic Name: dipropan-2-yl 3-oxidanylidene-8-(phenylmethyl)-8-azabicyclo[3.2.1]octane-2,4-dicarboxylate Openeye Name: diisopropyl 8-benzyl-3-oxo-8-azabicyclo[3.2.1]octane-2,4-dicarboxylate CAS Name: 3-oxo-8-(phenylmethyl)-8-azabicyclo[3.2.1]octane-2,4-dicarboxylic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 8-benzyl-3-oxo-8-azabicyclo[3.2.1]octane-2,4-dicarboxylate Traditional Name: 8-benzyl-3-keto-8-azabicyclo[3.2.1]octane-2,4-dicarboxylic acid diisopropyl ester Formula: C22H29NO5 MolecularWeight: 387.46936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1C2CCC(N2CC3=CC=CC=C3)C(C1=O)C(=O)OC(C)C

Isomeric SMILES

CC(C)OC(=O)C1C2CCC(N2CC3=CC=CC=C3)C(C1=O)C(=O)OC(C)C

InChI

InChI=1S/C22H29NO5/c1-13(2)27-21(25)18-16-10-11-17(19(20(18)24)22(26)28-14(3)4)23(16)12-15-8-6-5-7-9-15/h5-9,13-14,16-19H,10-12H2,1-4H3