(8-phenethyl-8-azabicyclo[4.3.1]decan-10-yl) 3,4,5-trimethoxybenzoate

Systemtic Name: (8-phenethyl-8-azabicyclo[4.3.1]decan-10-yl) 3,4,5-trimethoxybenzoate Openeye Name: (8-phenethyl-8-azabicyclo[4.3.1]decan-10-yl) 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid (8-phenethyl-8-azabicyclo[4.3.1]decan-10-yl) ester IUPAC Name: (8-phenethyl-8-azabicyclo[4.3.1]decan-10-yl) 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid (8-phenethyl-8-azabicyclo[4.3.1]decan-10-yl) ester Formula: C27H35NO5 MolecularWeight: 453.5705

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OC2C3CCCCC2CN(C3)CCC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OC2C3CCCCC2CN(C3)CCC4=CC=CC=C4

InChI

InChI=1S/C27H35NO5/c1-30-23-15-22(16-24(31-2)26(23)32-3)27(29)33-25-20-11-7-8-12-21(25)18-28(17-20)14-13-19-9-5-4-6-10-19/h4-6,9-10,15-16,20-21,25H,7-8,11-14,17-18H2,1-3H3