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

Systemtic Name: 2-[[3-chloranyl-5-methyl-4-[3-(2-methylbutan-2-ylcarbamoyl)-4-oxidanyl-phenoxy]phenyl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[3-chloro-4-[3-(1,1-dimethylpropylcarbamoyl)-4-hydroxy-phenoxy]-5-methyl-anilino]-2-oxo-acetic acid CAS Name: 2-[3-chloro-4-[4-hydroxy-3-[(2-methylbutan-2-ylamino)-oxomethyl]phenoxy]-5-methylanilino]-2-oxoacetic acid IUPAC Name: 2-[3-chloro-4-[4-hydroxy-3-(2-methylbutan-2-ylcarbamoyl)phenoxy]-5-methylanilino]-2-oxoacetic acid Traditional Name: 2-[4-[3-(tert-amylcarbamoyl)-4-hydroxy-phenoxy]-3-chloro-5-methyl-anilino]-2-keto-acetic acid Formula: C21H23ClN2O6 MolecularWeight: 434.87012

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2C)NC(=O)C(=O)O)Cl)O

Isomeric SMILES

CCC(C)(C)NC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2C)NC(=O)C(=O)O)Cl)O

InChI

InChI=1S/C21H23ClN2O6/c1-5-21(3,4)24-18(26)14-10-13(6-7-16(14)25)30-17-11(2)8-12(9-15(17)22)23-19(27)20(28)29/h6-10,25H,5H2,1-4H3,(H,23,27)(H,24,26)(H,28,29)