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

Systemtic Name: 2-[[3-chloranyl-4-[3-(2-cyclobutylethanoylamino)-4-oxidanyl-phenoxy]-5-methyl-phenyl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[3-chloro-4-[3-[(2-cyclobutylacetyl)amino]-4-hydroxy-phenoxy]-5-methyl-anilino]-2-oxo-acetic acid CAS Name: 2-[3-chloro-4-[3-[(2-cyclobutyl-1-oxoethyl)amino]-4-hydroxyphenoxy]-5-methylanilino]-2-oxoacetic acid IUPAC Name: 2-[3-chloro-4-[3-[(2-cyclobutylacetyl)amino]-4-hydroxyphenoxy]-5-methylanilino]-2-oxoacetic acid Traditional Name: 2-[3-chloro-4-[3-[(2-cyclobutylacetyl)amino]-4-hydroxy-phenoxy]-5-methyl-anilino]-2-keto-acetic acid Formula: C21H21ClN2O6 MolecularWeight: 432.85424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)NC(=O)CC3CCC3)Cl)NC(=O)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)NC(=O)CC3CCC3)Cl)NC(=O)C(=O)O

InChI

InChI=1S/C21H21ClN2O6/c1-11-7-13(23-20(27)21(28)29)9-15(22)19(11)30-14-5-6-17(25)16(10-14)24-18(26)8-12-3-2-4-12/h5-7,9-10,12,25H,2-4,8H2,1H3,(H,23,27)(H,24,26)(H,28,29)