3-[[4-[3-(2-cyclopentylethanoyl)-4-oxidanyl-phenoxy]-3,5-dimethyl-phenyl]amino]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[[4-[3-(2-cyclopentylethanoyl)-4-oxidanyl-phenoxy]-3,5-dimethyl-phenyl]amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[4-[3-(2-cyclopentylacetyl)-4-hydroxy-phenoxy]-3,5-dimethyl-anilino]-3-oxo-propanoic acid CAS Name: 3-[4-[3-(2-cyclopentyl-1-oxoethyl)-4-hydroxyphenoxy]-3,5-dimethylanilino]-3-oxopropanoic acid IUPAC Name: 3-[4-[3-(2-cyclopentylacetyl)-4-hydroxyphenoxy]-3,5-dimethylanilino]-3-oxopropanoic acid Traditional Name: 3-[4-[3-(2-cyclopentylacetyl)-4-hydroxy-phenoxy]-3,5-dimethyl-anilino]-3-keto-propionic acid Formula: C24H27NO6 MolecularWeight: 425.47428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27NO6/c1-14-9-17(25-22(28)13-23(29)30)10-15(2)24(14)31-18-7-8-20(26)19(12-18)21(27)11-16-5-3-4-6-16/h7-10,12,16,26H,3-6,11,13H2,1-2H3,(H,25,28)(H,29,30)