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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O6/c1-10(2)12(4)23-19(26)15-9-14(5-6-17(15)25)30-18-11(3)7-13(8-16(18)22)24-20(27)21(28)29/h5-10,12,25H,1-4H3,(H,23,26)(H,24,27)(H,28,29)