[6-butanoyloxy-9-(phenylmethyl)-9-azabicyclo[3.3.1]nonan-2-yl] butanoate

Systemtic Name: [6-butanoyloxy-9-(phenylmethyl)-9-azabicyclo[3.3.1]nonan-2-yl] butanoate Openeye Name: (9-benzyl-6-butanoyloxy-9-azabicyclo[3.3.1]nonan-2-yl) butanoate CAS Name: butanoic acid [6-(1-oxobutoxy)-9-(phenylmethyl)-9-azabicyclo[3.3.1]nonan-2-yl] ester IUPAC Name: (9-benzyl-6-butanoyloxy-9-azabicyclo[3.3.1]nonan-2-yl) butanoate Traditional Name: butyric acid (9-benzyl-6-butyryloxy-9-azabicyclo[3.3.1]nonan-2-yl) ester Formula: C23H33NO4 MolecularWeight: 387.51242

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1CCC2C(CCC1N2CC3=CC=CC=C3)OC(=O)CCC

Isomeric SMILES

CCCC(=O)OC1CCC2C(CCC1N2CC3=CC=CC=C3)OC(=O)CCC

InChI

InChI=1S/C23H33NO4/c1-3-8-22(25)27-20-14-12-19-21(28-23(26)9-4-2)15-13-18(20)24(19)16-17-10-6-5-7-11-17/h5-7,10-11,18-21H,3-4,8-9,12-16H2,1-2H3