sodium 2-[2-azanyl-3-(3,4-dimethylphenoxy)phenyl]ethanoate

Systemtic Name: sodium 2-[2-azanyl-3-(3,4-dimethylphenoxy)phenyl]ethanoate Openeye Name: sodium 2-[2-amino-3-(3,4-dimethylphenoxy)phenyl]acetate CAS Name: sodium 2-[2-amino-3-(3,4-dimethylphenoxy)phenyl]acetate IUPAC Name: sodium 2-[2-amino-3-(3,4-dimethylphenoxy)phenyl]acetate Traditional Name: sodium 2-[2-amino-3-(3,4-dimethylphenoxy)phenyl]acetate Formula: C16H16NNaO3 MolecularWeight: 293.29291

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC2=CC=CC(=C2N)CC(=O)[O-])C.[Na+]

Isomeric SMILES

CC1=C(C=C(C=C1)OC2=CC=CC(=C2N)CC(=O)[O-])C.[Na+]

InChI

InChI=1S/C16H17NO3.Na/c1-10-6-7-13(8-11(10)2)20-14-5-3-4-12(16(14)17)9-15(18)19;/h3-8H,9,17H2,1-2H3,(H,18,19);/q;+1/p-1