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

Systemtic Name: 2-[[3,5-dimethyl-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[4-(4-hydroxy-3-isopropyl-phenoxy)-3,5-dimethyl-anilino]-3-phenyl-propanoic acid CAS Name: 2-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylanilino]-3-phenylpropanoic acid IUPAC Name: 2-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylanilino]-3-phenylpropanoic acid Traditional Name: 2-[4-(4-hydroxy-3-isopropyl-phenoxy)-3,5-dimethyl-anilino]-3-phenyl-propionic acid Formula: C26H29NO4 MolecularWeight: 419.51276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)C(C)C)C)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)C(C)C)C)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C26H29NO4/c1-16(2)22-15-21(10-11-24(22)28)31-25-17(3)12-20(13-18(25)4)27-23(26(29)30)14-19-8-6-5-7-9-19/h5-13,15-16,23,27-28H,14H2,1-4H3,(H,29,30)