3-[[3-chloranyl-4-[3-(2-cyclobutyl-1-oxidanyl-ethyl)-4-oxidanyl-phenoxy]-5-methyl-phenyl]amino]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[[3-chloranyl-4-[3-(2-cyclobutyl-1-oxidanyl-ethyl)-4-oxidanyl-phenoxy]-5-methyl-phenyl]amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[3-chloro-4-[3-(2-cyclobutyl-1-hydroxy-ethyl)-4-hydroxy-phenoxy]-5-methyl-anilino]-3-oxo-propanoic acid CAS Name: 3-[3-chloro-4-[3-(2-cyclobutyl-1-hydroxyethyl)-4-hydroxyphenoxy]-5-methylanilino]-3-oxopropanoic acid IUPAC Name: 3-[3-chloro-4-[3-(2-cyclobutyl-1-hydroxyethyl)-4-hydroxyphenoxy]-5-methylanilino]-3-oxopropanoic acid Traditional Name: 3-[3-chloro-4-[3-(2-cyclobutyl-1-hydroxy-ethyl)-4-hydroxy-phenoxy]-5-methyl-anilino]-3-keto-propionic acid Formula: C22H24ClNO6 MolecularWeight: 433.88206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClNO6/c1-12-7-14(24-20(27)11-21(28)29)9-17(23)22(12)30-15-5-6-18(25)16(10-15)19(26)8-13-3-2-4-13/h5-7,9-10,13,19,25-26H,2-4,8,11H2,1H3,(H,24,27)(H,28,29)