[(3S,4R)-8-methyl-4-propanoyl-8-azabicyclo[3.2.1]octan-3-yl] benzoate

Systemtic Name: [(3S,4R)-8-methyl-4-propanoyl-8-azabicyclo[3.2.1]octan-3-yl] benzoate Openeye Name: [(3S,4R)-8-methyl-4-propanoyl-8-azabicyclo[3.2.1]octan-3-yl] benzoate CAS Name: benzoic acid [(3S,4R)-8-methyl-4-(1-oxopropyl)-8-azabicyclo[3.2.1]octan-3-yl] ester IUPAC Name: [(3S,4R)-8-methyl-4-propanoyl-8-azabicyclo[3.2.1]octan-3-yl] benzoate Traditional Name: benzoic acid [(3S,4R)-8-methyl-4-propionyl-8-azabicyclo[3.2.1]octan-3-yl] ester Formula: C18H23NO3 MolecularWeight: 301.38012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1C2CCC(N2C)CC1OC(=O)C3=CC=CC=C3

Isomeric SMILES

CCC(=O)[C@H]1[C@H](CC2CCC1N2C)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H23NO3/c1-3-15(20)17-14-10-9-13(19(14)2)11-16(17)22-18(21)12-7-5-4-6-8-12/h4-8,13-14,16-17H,3,9-11H2,1-2H3/t13?,14?,16-,17-/m0/s1