ethyl 3-aminocarbonyl-5-[2-(2-carbamimidoylphenoxy)pyridin-3-yl]oxy-benzoate

Systemtic Name: ethyl 3-aminocarbonyl-5-[2-(2-carbamimidoylphenoxy)pyridin-3-yl]oxy-benzoate Openeye Name: ethyl 3-[[2-(2-carbamimidoylphenoxy)-3-pyridyl]oxy]-5-carbamoyl-benzoate CAS Name: 3-[[2-(2-carbamimidoylphenoxy)-3-pyridinyl]oxy]-5-carbamoylbenzoic acid ethyl ester IUPAC Name: ethyl 3-[2-(2-carbamimidoylphenoxy)pyridin-3-yl]oxy-5-carbamoylbenzoate Traditional Name: 3-[[2-(2-amidinophenoxy)-3-pyridyl]oxy]-5-carbamoyl-benzoic acid ethyl ester Formula: C22H20N4O5 MolecularWeight: 420.418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)N)OC2=C(N=CC=C2)OC3=CC=CC=C3C(=N)N

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N)OC2=C(N=CC=C2)OC3=CC=CC=C3C(=N)N

InChI

InChI=1S/C22H20N4O5/c1-2-29-22(28)14-10-13(20(25)27)11-15(12-14)30-18-8-5-9-26-21(18)31-17-7-4-3-6-16(17)19(23)24/h3-12H,2H2,1H3,(H3,23,24)(H2,25,27)