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

Systemtic Name: 3-[[3,5-dimethyl-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[4-(4-hydroxy-3-isopropyl-phenoxy)-3,5-dimethyl-anilino]-3-oxo-propanoic acid CAS Name: 3-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylanilino]-3-oxopropanoic acid IUPAC Name: 3-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylanilino]-3-oxopropanoic acid Traditional Name: 3-[4-(4-hydroxy-3-isopropyl-phenoxy)-3,5-dimethyl-anilino]-3-keto-propionic acid Formula: C20H23NO5 MolecularWeight: 357.40032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO5/c1-11(2)16-9-15(5-6-17(16)22)26-20-12(3)7-14(8-13(20)4)21-18(23)10-19(24)25/h5-9,11,22H,10H2,1-4H3,(H,21,23)(H,24,25)