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

Systemtic Name: 3-[[4-(3-butan-2-yl-4-oxidanyl-phenoxy)-3,5-dimethyl-phenyl]amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[4-(4-hydroxy-3-sec-butyl-phenoxy)-3,5-dimethyl-anilino]-3-oxo-propanoic acid CAS Name: 3-[4-(3-butan-2-yl-4-hydroxyphenoxy)-3,5-dimethylanilino]-3-oxopropanoic acid IUPAC Name: 3-[4-(3-butan-2-yl-4-hydroxyphenoxy)-3,5-dimethylanilino]-3-oxopropanoic acid Traditional Name: 3-[4-(4-hydroxy-3-sec-butyl-phenoxy)-3,5-dimethyl-anilino]-3-keto-propionic acid Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=C(C=CC(=C1)OC2=C(C=C(C=C2C)NC(=O)CC(=O)O)C)O

Isomeric SMILES

CCC(C)C1=C(C=CC(=C1)OC2=C(C=C(C=C2C)NC(=O)CC(=O)O)C)O

InChI

InChI=1S/C21H25NO5/c1-5-12(2)17-10-16(6-7-18(17)23)27-21-13(3)8-15(9-14(21)4)22-19(24)11-20(25)26/h6-10,12,23H,5,11H2,1-4H3,(H,22,24)(H,25,26)