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

Systemtic Name: 3-[[3-chloranyl-4-[3-(2-cyclopentyl-1-oxidanyl-ethyl)-4-oxidanyl-phenoxy]-5-methyl-phenyl]amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[3-chloro-4-[3-(2-cyclopentyl-1-hydroxy-ethyl)-4-hydroxy-phenoxy]-5-methyl-anilino]-3-oxo-propanoic acid CAS Name: 3-[3-chloro-4-[3-(2-cyclopentyl-1-hydroxyethyl)-4-hydroxyphenoxy]-5-methylanilino]-3-oxopropanoic acid IUPAC Name: 3-[3-chloro-4-[3-(2-cyclopentyl-1-hydroxyethyl)-4-hydroxyphenoxy]-5-methylanilino]-3-oxopropanoic acid Traditional Name: 3-[3-chloro-4-[3-(2-cyclopentyl-1-hydroxy-ethyl)-4-hydroxy-phenoxy]-5-methyl-anilino]-3-keto-propionic acid Formula: C23H26ClNO6 MolecularWeight: 447.90864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)C(CC3CCCC3)O)Cl)NC(=O)CC(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)C(CC3CCCC3)O)Cl)NC(=O)CC(=O)O

InChI

InChI=1S/C23H26ClNO6/c1-13-8-15(25-21(28)12-22(29)30)10-18(24)23(13)31-16-6-7-19(26)17(11-16)20(27)9-14-4-2-3-5-14/h6-8,10-11,14,20,26-27H,2-5,9,12H2,1H3,(H,25,28)(H,29,30)