(2-azanyl-3,3,4,4,4-pentadeuterio-2-phenyl-butyl) 3,4,5-trimethoxybenzoate

Systemtic Name: (2-azanyl-3,3,4,4,4-pentadeuterio-2-phenyl-butyl) 3,4,5-trimethoxybenzoate Openeye Name: (2-amino-3,3,4,4,4-pentadeuterio-2-phenyl-butyl) 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid (2-amino-3,3,4,4,4-pentadeuterio-2-phenylbutyl) ester IUPAC Name: (2-amino-3,3,4,4,4-pentadeuterio-2-phenylbutyl) 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid (2-amino-3,3,4,4,4-pentadeuterio-2-phenyl-butyl) ester Formula: C20H25NO5 MolecularWeight: 364.447009

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(COC(=O)C1=CC(=C(C(=C1)OC)OC)OC)(C2=CC=CC=C2)N

Isomeric SMILES

[2H]C([2H])([2H])C([2H])([2H])C(COC(=O)C1=CC(=C(C(=C1)OC)OC)OC)(C2=CC=CC=C2)N

InChI

InChI=1S/C20H25NO5/c1-5-20(21,15-9-7-6-8-10-15)13-26-19(22)14-11-16(23-2)18(25-4)17(12-14)24-3/h6-12H,5,13,21H2,1-4H3/i1D3,5D2