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

Systemtic Name: 3-[[4-[3-(2-cyclobutyl-1-oxidanyl-ethyl)-4-oxidanyl-phenoxy]-3,5-dimethyl-phenyl]amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[4-[3-(2-cyclobutyl-1-hydroxy-ethyl)-4-hydroxy-phenoxy]-3,5-dimethyl-anilino]-3-oxo-propanoic acid CAS Name: 3-[4-[3-(2-cyclobutyl-1-hydroxyethyl)-4-hydroxyphenoxy]-3,5-dimethylanilino]-3-oxopropanoic acid IUPAC Name: 3-[4-[3-(2-cyclobutyl-1-hydroxyethyl)-4-hydroxyphenoxy]-3,5-dimethylanilino]-3-oxopropanoic acid Traditional Name: 3-[4-[3-(2-cyclobutyl-1-hydroxy-ethyl)-4-hydroxy-phenoxy]-3,5-dimethyl-anilino]-3-keto-propionic acid Formula: C23H27NO6 MolecularWeight: 413.46358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO6/c1-13-8-16(24-21(27)12-22(28)29)9-14(2)23(13)30-17-6-7-19(25)18(11-17)20(26)10-15-4-3-5-15/h6-9,11,15,20,25-26H,3-5,10,12H2,1-2H3,(H,24,27)(H,28,29)