4-[5-(2-azanylethyl)-2,3-dimethoxy-phenoxy]benzoic acid

Systemtic Name: 4-[5-(2-azanylethyl)-2,3-dimethoxy-phenoxy]benzoic acid Openeye Name: 4-[5-(2-aminoethyl)-2,3-dimethoxy-phenoxy]benzoic acid CAS Name: 4-[5-(2-aminoethyl)-2,3-dimethoxyphenoxy]benzoic acid IUPAC Name: 4-[5-(2-aminoethyl)-2,3-dimethoxyphenoxy]benzoic acid Traditional Name: 4-[5-(2-aminoethyl)-2,3-dimethoxy-phenoxy]benzoic acid Formula: C17H19NO5 MolecularWeight: 317.33646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC2=CC=C(C=C2)C(=O)O)CCN

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC2=CC=C(C=C2)C(=O)O)CCN

InChI

InChI=1S/C17H19NO5/c1-21-14-9-11(7-8-18)10-15(16(14)22-2)23-13-5-3-12(4-6-13)17(19)20/h3-6,9-10H,7-8,18H2,1-2H3,(H,19,20)