2-[[3-chloranyl-4-[3-(2-cyclobutylethanoylamino)-4-oxidanyl-phenoxy]-5-ethyl-phenyl]amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[[3-chloranyl-4-[3-(2-cyclobutylethanoylamino)-4-oxidanyl-phenoxy]-5-ethyl-phenyl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[3-chloro-4-[3-[(2-cyclobutylacetyl)amino]-4-hydroxy-phenoxy]-5-ethyl-anilino]-2-oxo-acetic acid CAS Name: 2-[3-chloro-4-[3-[(2-cyclobutyl-1-oxoethyl)amino]-4-hydroxyphenoxy]-5-ethylanilino]-2-oxoacetic acid IUPAC Name: 2-[3-chloro-4-[3-[(2-cyclobutylacetyl)amino]-4-hydroxyphenoxy]-5-ethylanilino]-2-oxoacetic acid Traditional Name: 2-[3-chloro-4-[3-[(2-cyclobutylacetyl)amino]-4-hydroxy-phenoxy]-5-ethyl-anilino]-2-keto-acetic acid Formula: C22H23ClN2O6 MolecularWeight: 446.88082

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)NC(=O)CC3CCC3)Cl)NC(=O)C(=O)O

Isomeric SMILES

CCC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)NC(=O)CC3CCC3)Cl)NC(=O)C(=O)O

InChI

InChI=1S/C22H23ClN2O6/c1-2-13-9-14(24-21(28)22(29)30)10-16(23)20(13)31-15-6-7-18(26)17(11-15)25-19(27)8-12-4-3-5-12/h6-7,9-12,26H,2-5,8H2,1H3,(H,24,28)(H,25,27)(H,29,30)