(2R)-2-azaniumyl-2-(3-methoxy-4-phenethyloxy-phenyl)ethanoate

Systemtic Name: (2R)-2-azaniumyl-2-(3-methoxy-4-phenethyloxy-phenyl)ethanoate Openeye Name: (2R)-2-azaniumyl-2-(3-methoxy-4-phenethyloxy-phenyl)acetate CAS Name: (2R)-2-ammonio-2-(3-methoxy-4-phenethyloxyphenyl)acetate IUPAC Name: (2R)-2-azaniumyl-2-(3-methoxy-4-phenethyloxyphenyl)acetate Traditional Name: (2R)-2-ammonio-2-(3-methoxy-4-phenethyloxy-phenyl)acetate Formula: C17H19NO4 MolecularWeight: 301.33706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C(=O)[O-])[NH3+])OCCC2=CC=CC=C2

Isomeric SMILES

COC1=C(C=CC(=C1)[C@H](C(=O)[O-])[NH3+])OCCC2=CC=CC=C2

InChI

InChI=1S/C17H19NO4/c1-21-15-11-13(16(18)17(19)20)7-8-14(15)22-10-9-12-5-3-2-4-6-12/h2-8,11,16H,9-10,18H2,1H3,(H,19,20)/t16-/m1/s1