(2R)-2-azaniumyl-2-[3-methoxy-4-(3-phenylpropoxy)phenyl]ethanoate

Systemtic Name: (2R)-2-azaniumyl-2-[3-methoxy-4-(3-phenylpropoxy)phenyl]ethanoate Openeye Name: (2R)-2-azaniumyl-2-[3-methoxy-4-(3-phenylpropoxy)phenyl]acetate CAS Name: (2R)-2-ammonio-2-[3-methoxy-4-(3-phenylpropoxy)phenyl]acetate IUPAC Name: (2R)-2-azaniumyl-2-[3-methoxy-4-(3-phenylpropoxy)phenyl]acetate Traditional Name: (2R)-2-ammonio-2-[3-methoxy-4-(3-phenylpropoxy)phenyl]acetate Formula: C18H21NO4 MolecularWeight: 315.36364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C(=O)[O-])[NH3+])OCCCC2=CC=CC=C2

Isomeric SMILES

COC1=C(C=CC(=C1)[C@H](C(=O)[O-])[NH3+])OCCCC2=CC=CC=C2

InChI

InChI=1S/C18H21NO4/c1-22-16-12-14(17(19)18(20)21)9-10-15(16)23-11-5-8-13-6-3-2-4-7-13/h2-4,6-7,9-10,12,17H,5,8,11,19H2,1H3,(H,20,21)/t17-/m1/s1