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

Systemtic Name: 2-[[3-chloranyl-4-[3-(cyclohexylmethylcarbamoyl)-4-oxidanyl-phenoxy]-5-methyl-phenyl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[3-chloro-4-[3-(cyclohexylmethylcarbamoyl)-4-hydroxy-phenoxy]-5-methyl-anilino]-2-oxo-acetic acid CAS Name: 2-[3-chloro-4-[3-[(cyclohexylmethylamino)-oxomethyl]-4-hydroxyphenoxy]-5-methylanilino]-2-oxoacetic acid IUPAC Name: 2-[3-chloro-4-[3-(cyclohexylmethylcarbamoyl)-4-hydroxyphenoxy]-5-methylanilino]-2-oxoacetic acid Traditional Name: 2-[3-chloro-4-[3-(cyclohexylmethylcarbamoyl)-4-hydroxy-phenoxy]-5-methyl-anilino]-2-keto-acetic acid Formula: C23H25ClN2O6 MolecularWeight: 460.9074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)C(=O)NCC3CCCCC3)Cl)NC(=O)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)C(=O)NCC3CCCCC3)Cl)NC(=O)C(=O)O

InChI

InChI=1S/C23H25ClN2O6/c1-13-9-15(26-22(29)23(30)31)10-18(24)20(13)32-16-7-8-19(27)17(11-16)21(28)25-12-14-5-3-2-4-6-14/h7-11,14,27H,2-6,12H2,1H3,(H,25,28)(H,26,29)(H,30,31)